6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide

C13H14N4O2S — CID 115641421

IUPAC6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide
SMILESN#CCN(C1CCCC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H14N4O2S/c14-7-8-17(12-3-1-2-4-12)20(18,19)13-6-5-11(9-15)16-10-13/h5-6,10,12H,1-4,8H2
InChIKeyPDOLCJPHDWRMJY-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.41
Rot. Bonds4

About 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide

6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide (PubChem CID 115641421) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide
PubChem CID115641421
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide
SMILESN#CCN(C1CCCC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H14N4O2S/c14-7-8-17(12-3-1-2-4-12)20(18,19)13-6-5-11(9-15)16-10-13/h5-6,10,12H,1-4,8H2
InChIKeyPDOLCJPHDWRMJY-UHFFFAOYSA-N
XLogP1.41
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 115602563
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
CID 114613918
N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide
CID 106441981
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 115611960
5-(2-formylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 114614929
2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
CID 80697349

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide (CID 115641421) is 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide is N#CCN(C1CCCC1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide?
The InChIKey is PDOLCJPHDWRMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-7-8-17(12-3-1-2-4-12)20(18,19)13-6-5-11(9-15)16-10-13/h5-6,10,12H,1-4,8H2.
What are the key properties of 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide?
6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide is sourced from PubChem (CID 115641421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).