2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide

C9H11N3O3S — CID 106546656

IUPAC2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C9H11N3O3S/c1-7(13)6-12-16(14,15)9-3-2-4-11-8(9)5-10/h2-4,7,12-13H,6H2,1H3/t7-/m0/s1
InChIKeyAJQCKRKGDPXZKA-ZETCQYMHSA-N
MW241.27 g/mol
LogP-0.39
Rot. Bonds4

About 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide

2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide (PubChem CID 106546656) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
PubChem CID106546656
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C9H11N3O3S/c1-7(13)6-12-16(14,15)9-3-2-4-11-8(9)5-10/h2-4,7,12-13H,6H2,1H3/t7-/m0/s1
InChIKeyAJQCKRKGDPXZKA-ZETCQYMHSA-N
XLogP-0.39
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
CID 106546169
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
CID 106545736
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide (CID 106546656) is 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide is C[C@H](O)CNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide?
The InChIKey is AJQCKRKGDPXZKA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-7(13)6-12-16(14,15)9-3-2-4-11-8(9)5-10/h2-4,7,12-13H,6H2,1H3/t7-/m0/s1.
What are the key properties of 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide?
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide has a molecular weight of 241.27 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106546656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).