N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide

C14H19N3O2S — CID 47405516

IUPACN-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O2S/c1-12-5-2-3-8-17(12)20(18,19)16-11-14-7-4-6-13(9-14)10-15/h4,6-7,9,12,16H,2-3,5,8,11H2,1H3
InChIKeyZMPCKMFWVCUFHT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.77
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide

N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 47405516) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide
PubChem CID47405516
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O2S/c1-12-5-2-3-8-17(12)20(18,19)16-11-14-7-4-6-13(9-14)10-15/h4,6-7,9,12,16H,2-3,5,8,11H2,1H3
InChIKeyZMPCKMFWVCUFHT-UHFFFAOYSA-N
XLogP1.77
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
CID 55062176
2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606211
(2R)-N-[(4-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35288491
2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386243
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
3-[(2-formylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 63846561
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109
2-[(3-cyanophenyl)methylsulfamoyl]propanoic acid
CID 54947596
3-[(3-piperidin-1-ylpropylamino)methyl]benzonitrile
CID 28657390

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide (CID 47405516) is N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is ZMPCKMFWVCUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-12-5-2-3-8-17(12)20(18,19)16-11-14-7-4-6-13(9-14)10-15/h4,6-7,9,12,16H,2-3,5,8,11H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide?
N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 47405516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).