(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide

C15H21N5O3S — CID 97435742

IUPAC(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)Nc1cccc(NC(=O)N2CCC[C@@H](C#N)C2)c1
InChIInChI=1S/C15H21N5O3S/c1-19(2)24(22,23)18-14-7-3-6-13(9-14)17-15(21)20-8-4-5-12(10-16)11-20/h3,6-7,9,12,18H,4-5,8,11H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyXUGMLSXKCUOIMM-LBPRGKRZSA-N
MW351.43 g/mol
LogP1.67
Rot. Bonds4

About (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide

(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide (PubChem CID 97435742) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide
PubChem CID97435742
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)Nc1cccc(NC(=O)N2CCC[C@@H](C#N)C2)c1
InChIInChI=1S/C15H21N5O3S/c1-19(2)24(22,23)18-14-7-3-6-13(9-14)17-15(21)20-8-4-5-12(10-16)11-20/h3,6-7,9,12,18H,4-5,8,11H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyXUGMLSXKCUOIMM-LBPRGKRZSA-N
XLogP1.67
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
CID 72916114
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 49061663
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111111748
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
CID 79158927
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 97436786
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide (CID 97435742) is (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide is CN(C)S(=O)(=O)Nc1cccc(NC(=O)N2CCC[C@@H](C#N)C2)c1.
What is the InChIKey of (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide?
The InChIKey is XUGMLSXKCUOIMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-19(2)24(22,23)18-14-7-3-6-13(9-14)17-15(21)20-8-4-5-12(10-16)11-20/h3,6-7,9,12,18H,4-5,8,11H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide?
(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97435742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).