6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile

C16H17N3O2S — CID 122150706

IUPAC6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile
SMILESCCC(CS(=O)(=O)c1ccccc1)Nc1ccc(C#N)cn1
InChIInChI=1S/C16H17N3O2S/c1-2-14(19-16-9-8-13(10-17)11-18-16)12-22(20,21)15-6-4-3-5-7-15/h3-9,11,14H,2,12H2,1H3,(H,18,19)
InChIKeyFNTFJGXMHSCUPN-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.62
Rot. Bonds6

About 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile

6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile (PubChem CID 122150706) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile
PubChem CID122150706
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile
SMILESCCC(CS(=O)(=O)c1ccccc1)Nc1ccc(C#N)cn1
InChIInChI=1S/C16H17N3O2S/c1-2-14(19-16-9-8-13(10-17)11-18-16)12-22(20,21)15-6-4-3-5-7-15/h3-9,11,14H,2,12H2,1H3,(H,18,19)
InChIKeyFNTFJGXMHSCUPN-UHFFFAOYSA-N
XLogP2.62
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
6-(hexan-3-ylamino)pyridine-3-carbonitrile
CID 62046801
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-(1-phenylbut-3-ynylamino)pyridine-3-carbonitrile
CID 75390358
(2R)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 97240294
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041228
benzyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133413172
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile (CID 122150706) is 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile is CCC(CS(=O)(=O)c1ccccc1)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile?
The InChIKey is FNTFJGXMHSCUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-14(19-16-9-8-13(10-17)11-18-16)12-22(20,21)15-6-4-3-5-7-15/h3-9,11,14H,2,12H2,1H3,(H,18,19).
What are the key properties of 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile?
6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile has a molecular weight of 315.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 122150706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).