N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C15H23NO2S — CID 81364185

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1cccc([C@H](C)NC2CCCC2S(C)(=O)=O)c1
InChIInChI=1S/C15H23NO2S/c1-11-6-4-7-13(10-11)12(2)16-14-8-5-9-15(14)19(3,17)18/h4,6-7,10,12,14-16H,5,8-9H2,1-3H3/t12-,14?,15?/m0/s1
InChIKeyZHMQCZYKCZGEKE-GRTSSRMGSA-N
MW281.42 g/mol
LogP2.61
Rot. Bonds4

About N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 81364185) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID81364185
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1cccc([C@H](C)NC2CCCC2S(C)(=O)=O)c1
InChIInChI=1S/C15H23NO2S/c1-11-6-4-7-13(10-11)12(2)16-14-8-5-9-15(14)19(3,17)18/h4,6-7,10,12,14-16H,5,8-9H2,1-3H3/t12-,14?,15?/m0/s1
InChIKeyZHMQCZYKCZGEKE-GRTSSRMGSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(3-methylphenyl)ethyl]-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

N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044459
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
N-[1-(5-methylfuran-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044364
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140
N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81367096
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044520
N-[(1S)-1-(3-methylphenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 81369615
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 81364185) is N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is Cc1cccc([C@H](C)NC2CCCC2S(C)(=O)=O)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is ZHMQCZYKCZGEKE-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-6-4-7-13(10-11)12(2)16-14-8-5-9-15(14)19(3,17)18/h4,6-7,10,12,14-16H,5,8-9H2,1-3H3/t12-,14?,15?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 81364185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).