N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine

C17H27NO2S — CID 65044520

IUPACN-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCC(C)CC(NC1CCCC1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H27NO2S/c1-13(2)12-16(14-8-5-4-6-9-14)18-15-10-7-11-17(15)21(3,19)20/h4-6,8-9,13,15-18H,7,10-12H2,1-3H3
InChIKeyJBWMGSFZSMSNCD-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.33
Rot. Bonds6

About N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine

N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65044520) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65044520
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCC(C)CC(NC1CCCC1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H27NO2S/c1-13(2)12-16(14-8-5-4-6-9-14)18-15-10-7-11-17(15)21(3,19)20/h4-6,8-9,13,15-18H,7,10-12H2,1-3H3
InChIKeyJBWMGSFZSMSNCD-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine 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

2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
CID 62313676
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 106661989
4-[(3-methyl-1-phenylbutyl)amino]cyclohexane-1-carboxylic acid
CID 65054767
2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 79860147
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044459

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine (CID 65044520) is N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine is CC(C)CC(NC1CCCC1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is JBWMGSFZSMSNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-13(2)12-16(14-8-5-4-6-9-14)18-15-10-7-11-17(15)21(3,19)20/h4-6,8-9,13,15-18H,7,10-12H2,1-3H3.
What are the key properties of N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65044520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).