(1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide

C5H13NO2S3 — CID 88967355

IUPAC(1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide
SMILESCNS(=O)(=O)[C@@H](CSC)SC
InChIInChI=1S/C5H13NO2S3/c1-6-11(7,8)5(10-3)4-9-2/h5-6H,4H2,1-3H3/t5-/m0/s1
InChIKeyDRHOJZBAGPYSSC-YFKPBYRVSA-N
MW215.36 g/mol
LogP0.59
Rot. Bonds5

About (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide

(1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide (PubChem CID 88967355) has the molecular formula C5H13NO2S3 and a molecular weight of 215.36 g/mol. Its IUPAC name is (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide
PubChem CID88967355
Molecular FormulaC5H13NO2S3
Molecular Weight215.36 g/mol
Exact Mass215.01
IUPAC Name(1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide
SMILESCNS(=O)(=O)[C@@H](CSC)SC
InChIInChI=1S/C5H13NO2S3/c1-6-11(7,8)5(10-3)4-9-2/h5-6H,4H2,1-3H3/t5-/m0/s1
InChIKeyDRHOJZBAGPYSSC-YFKPBYRVSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide?
The IUPAC name of (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide (CID 88967355) is (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide.
What is the SMILES notation for (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide?
The canonical SMILES for (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide is CNS(=O)(=O)[C@@H](CSC)SC.
What is the InChIKey of (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide?
The InChIKey is DRHOJZBAGPYSSC-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NO2S3/c1-6-11(7,8)5(10-3)4-9-2/h5-6H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide?
(1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide has a molecular weight of 215.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1,2-bis(methylsulfanyl)ethanesulfonamide is sourced from PubChem (CID 88967355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).