1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide

C15H21N3O2S — CID 63637982

IUPAC1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C15H21N3O2S/c1-2-18(15-8-5-9-17-11-15)21(19,20)12-14-7-4-3-6-13(14)10-16/h3-4,6-7,15,17H,2,5,8-9,11-12H2,1H3
InChIKeyLNCDIDJHRFBHHQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.46
Rot. Bonds5

About 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide

1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide (PubChem CID 63637982) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide
PubChem CID63637982
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C15H21N3O2S/c1-2-18(15-8-5-9-17-11-15)21(19,20)12-14-7-4-3-6-13(14)10-16/h3-4,6-7,15,17H,2,5,8-9,11-12H2,1H3
InChIKeyLNCDIDJHRFBHHQ-UHFFFAOYSA-N
XLogP1.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205910
N-(azetidin-3-yl)-1-(4-cyanophenyl)-N-ethylmethanesulfonamide
CID 66183203
1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide
CID 43541147
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038
N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
CID 63636927
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
2-(piperidin-4-ylsulfonylmethyl)benzonitrile
CID 82181326
1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide
CID 43268883
N-(dimethylsulfamoyl)-N-ethylpiperidin-3-amine
CID 60807042
N-ethyl-1-(oxolan-2-yl)-N-piperidin-3-ylmethanesulfonamide
CID 63246657
N-ethyl-N-piperidin-3-ylpropane-2-sulfonamide
CID 60858628
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide (CID 63637982) is 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide is CCN(C1CCCNC1)S(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide?
The InChIKey is LNCDIDJHRFBHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-18(15-8-5-9-17-11-15)21(19,20)12-14-7-4-3-6-13(14)10-16/h3-4,6-7,15,17H,2,5,8-9,11-12H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide?
1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 63637982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).