N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide

C15H21N3O2S — CID 79113614

IUPACN-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2S/c1-18(15-7-5-14(17)6-8-15)21(19,20)11-13-4-2-3-12(9-13)10-16/h2-4,9,14-15H,5-8,11,17H2,1H3
InChIKeyWTRPZZAXUMHFEH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.59
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide

N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide (PubChem CID 79113614) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
PubChem CID79113614
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2S/c1-18(15-7-5-14(17)6-8-15)21(19,20)11-13-4-2-3-12(9-13)10-16/h2-4,9,14-15H,5-8,11,17H2,1H3
InChIKeyWTRPZZAXUMHFEH-UHFFFAOYSA-N
XLogP1.59
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
CID 79469055
1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 71977809
N-[(3-bromophenyl)methyl]-1-(3-cyanophenyl)-N-cyclopropylmethanesulfonamide
CID 78862454
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
3-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)sulfonylmethyl]benzonitrile
CID 61234615
1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
CID 102847448
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
N-(4-aminocyclohexyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 79113445
N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829061
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
3-[(3-amino-4-methylpyrrolidin-1-yl)sulfonylmethyl]benzonitrile
CID 103576343

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide (CID 79113614) is N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide?
The InChIKey is WTRPZZAXUMHFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-18(15-7-5-14(17)6-8-15)21(19,20)11-13-4-2-3-12(9-13)10-16/h2-4,9,14-15H,5-8,11,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide?
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 79113614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).