4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide

C12H16N4O2S — CID 97166051

IUPAC4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
SMILESN#Cc1ccnc(S(=O)(=O)NC[C@@H]2CCCCN2)c1
InChIInChI=1S/C12H16N4O2S/c13-8-10-4-6-15-12(7-10)19(17,18)16-9-11-3-1-2-5-14-11/h4,6-7,11,14,16H,1-3,5,9H2/t11-/m0/s1
InChIKeyOFWGAQJISXYFNK-NSHDSACASA-N
MW280.35 g/mol
LogP0.37
Rot. Bonds4

About 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide

4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide (PubChem CID 97166051) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
PubChem CID97166051
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
SMILESN#Cc1ccnc(S(=O)(=O)NC[C@@H]2CCCCN2)c1
InChIInChI=1S/C12H16N4O2S/c13-8-10-4-6-15-12(7-10)19(17,18)16-9-11-3-1-2-5-14-11/h4,6-7,11,14,16H,1-3,5,9H2/t11-/m0/s1
InChIKeyOFWGAQJISXYFNK-NSHDSACASA-N
XLogP0.37
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyrrolidin-2-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 66570297
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
6-methyl-N-(piperidin-2-ylmethyl)pyridazine-3-sulfonamide
CID 71638761
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
CID 71645651
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]pyridine-4-carbonitrile
CID 97166008
2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
CID 71646106
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide
CID 97162061
N-(piperidin-2-ylmethyl)quinoline-5-sulfonamide
CID 115752247
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide?
The IUPAC name of 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide (CID 97166051) is 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide is N#Cc1ccnc(S(=O)(=O)NC[C@@H]2CCCCN2)c1.
What is the InChIKey of 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide?
The InChIKey is OFWGAQJISXYFNK-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-8-10-4-6-15-12(7-10)19(17,18)16-9-11-3-1-2-5-14-11/h4,6-7,11,14,16H,1-3,5,9H2/t11-/m0/s1.
What are the key properties of 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide?
4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 97166051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).