(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide

C8H12N2O2S — CID 97167945

IUPAC(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide
SMILESCNS(=O)(=O)[C@@H](C)c1ccccn1
InChIInChI=1S/C8H12N2O2S/c1-7(13(11,12)9-2)8-5-3-4-6-10-8/h3-7,9H,1-2H3/t7-/m0/s1
InChIKeyFRLPYRMCLWZZDT-ZETCQYMHSA-N
MW200.26 g/mol
LogP0.69
Rot. Bonds3

About (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide

(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide (PubChem CID 97167945) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide
PubChem CID97167945
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide
SMILESCNS(=O)(=O)[C@@H](C)c1ccccn1
InChIInChI=1S/C8H12N2O2S/c1-7(13(11,12)9-2)8-5-3-4-6-10-8/h3-7,9H,1-2H3/t7-/m0/s1
InChIKeyFRLPYRMCLWZZDT-ZETCQYMHSA-N
XLogP0.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
3-methyl-2-(1-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 70059903
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide
CID 97162061
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
2-(3-chloro-4-methylsulfonylpentan-2-yl)pyridine
CID 104522952
2-[(1R)-1-(dimethylsulfamoylamino)ethyl]pyridine
CID 94063709
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride
CID 71637437

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide?
The IUPAC name of (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide (CID 97167945) is (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide?
The canonical SMILES for (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide is CNS(=O)(=O)[C@@H](C)c1ccccn1.
What is the InChIKey of (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide?
The InChIKey is FRLPYRMCLWZZDT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-7(13(11,12)9-2)8-5-3-4-6-10-8/h3-7,9H,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide?
(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 97167945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).