N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride

C15H24ClN3O2S — CID 119992112

IUPACN-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)Cc1cccc(C#N)c1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-12(2)15(17)7-8-18(3)21(19,20)11-14-6-4-5-13(9-14)10-16;/h4-6,9,12,15H,7-8,11,17H2,1-3H3;1H
InChIKeyGDRMWHSPTDDDHV-UHFFFAOYSA-N
MW345.90 g/mol
LogP2.12
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride (PubChem CID 119992112) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
PubChem CID119992112
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)Cc1cccc(C#N)c1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-12(2)15(17)7-8-18(3)21(19,20)11-14-6-4-5-13(9-14)10-16;/h4-6,9,12,15H,7-8,11,17H2,1-3H3;1H
InChIKeyGDRMWHSPTDDDHV-UHFFFAOYSA-N
XLogP2.12
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992025
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
3-[(2R)-2-aminopropyl]benzonitrile
CID 130739273
1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 71977809
N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide
CID 79663909
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
1-(3-cyanophenyl)-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
CID 115755079

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride (CID 119992112) is N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride is CC(C)C(N)CCN(C)S(=O)(=O)Cc1cccc(C#N)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is GDRMWHSPTDDDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-12(2)15(17)7-8-18(3)21(19,20)11-14-6-4-5-13(9-14)10-16;/h4-6,9,12,15H,7-8,11,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119992112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).