1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide

C14H17N3O3S — CID 60682897

IUPAC1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide
SMILESN#Cc1ccccc1CS(=O)(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C14H17N3O3S/c15-9-11-5-1-2-6-12(11)10-21(19,20)17-8-4-3-7-13(17)14(16)18/h1-2,5-6,13H,3-4,7-8,10H2,(H2,16,18)
InChIKeyQYAYXRRRRGBWQV-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.73
Rot. Bonds4

About 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide

1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide (PubChem CID 60682897) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide
PubChem CID60682897
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide
SMILESN#Cc1ccccc1CS(=O)(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C14H17N3O3S/c15-9-11-5-1-2-6-12(11)10-21(19,20)17-8-4-3-7-13(17)14(16)18/h1-2,5-6,13H,3-4,7-8,10H2,(H2,16,18)
InChIKeyQYAYXRRRRGBWQV-UHFFFAOYSA-N
XLogP0.73
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-formylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 63845865
1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 43079033
2-[[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylmethyl]benzonitrile
CID 40818671
(2R)-1-[(2-cyano-4-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122069693
2-[[4-(dimethylamino)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 43586145
2-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 103834550
2-[(3-methylmorpholin-4-yl)sulfonylmethyl]benzonitrile
CID 43429177
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022
2-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 43430409
(2S)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 110867520
2-[[3-(methylamino)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115300309
2-(3,6-dihydro-2H-pyridin-1-ylsulfonylmethyl)benzonitrile
CID 103947033

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide (CID 60682897) is 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide is N#Cc1ccccc1CS(=O)(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide?
The InChIKey is QYAYXRRRRGBWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-9-11-5-1-2-6-12(11)10-21(19,20)17-8-4-3-7-13(17)14(16)18/h1-2,5-6,13H,3-4,7-8,10H2,(H2,16,18).
What are the key properties of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide?
1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide is sourced from PubChem (CID 60682897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).