1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide

C14H19N3O2S — CID 114695190

IUPAC1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O2S/c1-11-14(6-3-7-16-11)17-20(18,19)10-13-5-2-4-12(8-13)9-15/h2,4-5,8,11,14,16-17H,3,6-7,10H2,1H3
InChIKeyDRCNBEQROASYNY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.12
Rot. Bonds4

About 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide

1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide (PubChem CID 114695190) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
PubChem CID114695190
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O2S/c1-11-14(6-3-7-16-11)17-20(18,19)10-13-5-2-4-12(8-13)9-15/h2,4-5,8,11,14,16-17H,3,6-7,10H2,1H3
InChIKeyDRCNBEQROASYNY-UHFFFAOYSA-N
XLogP1.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
CID 120876608
N-(2-methylpiperidin-3-yl)-1-(4-nitrophenyl)methanesulfonamide;hydrochloride
CID 120726600
1-(3-cyanophenyl)-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 129425600
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride
CID 119967873
3-[(2,3-dimethylpiperazin-1-yl)sulfonylmethyl]benzonitrile;hydrochloride
CID 120725915
1-(3-cyanophenyl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]methanesulfonamide
CID 120666430
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
3-[(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylmethyl]benzonitrile;hydrochloride
CID 120714352
N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876612
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide (CID 114695190) is 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide is CC1NCCCC1NS(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide?
The InChIKey is DRCNBEQROASYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-14(6-3-7-16-11)17-20(18,19)10-13-5-2-4-12(8-13)9-15/h2,4-5,8,11,14,16-17H,3,6-7,10H2,1H3.
What are the key properties of 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide?
1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide is sourced from PubChem (CID 114695190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).