CAS 132335-44-5|(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol|(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol|(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine|(1S)-3-(dimethylamino)...

General Information

Structure

Molecular Formula

C₉H₁₅NOS

Molecular Mass

185.2865

Exact Mass

185.08743511

Charge

InChI

InChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1

InChIKey

XWCNSHMHUZCRLN-QMMMGPOBSA-N

Canonic Smiles

CN(CC[C@@H](c1cccs1)O)C

Isomeric Smiles

C(C[C@@H](c1cccs1)O)N(C)C

Calculated Properties

JChem

Acid pKa

14.015446

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8254272

LogD (pH = 7.4)

-0.14749803

Log P

1.2571487

Molar Refractivity

52.3185

Polarizability

20.32851

Polar Surface Area

23.47

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

IUPAC Traditional name

(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

Synonyms

(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine(S)-1-β-Hydroxy-1-(2-thienyl)-3-dimethylaminopropane(S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine(1S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

Registration numbers

Properties