Molecule

ID:70723

General Information

Structure

MolImage

Molecular Formula

C₄H₉NO₂S

Molecular Mass

135.18476

Exact Mass

135.03539953

Charge

0

InChI

InChI=1S/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)

InChIKey

ATJVVVCODTXRAE-UHFFFAOYSA-N

Canonic Smiles

CC1(CC1)S(=O)(=O)N

Isomeric Smiles

C1(CC1)(S(=O)(=O)N)C

Calculated Properties

JChem

Acid pKa

12.248641

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.33254072

LogD (pH = 7.4)

-0.33254611

Log P

-0.33254066

Molar Refractivity

30.2877

Polarizability

12.757984

Polar Surface Area

60.16

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity