2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine

C15H23NO2S — CID 65046271

IUPAC2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
SMILESCCC(NC1CCCC1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-3-13(12-8-5-4-6-9-12)16-14-10-7-11-15(14)19(2,17)18/h4-6,8-9,13-16H,3,7,10-11H2,1-2H3
InChIKeyDPRBXCOLAMCNMM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.69
Rot. Bonds5

About 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine

2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine (PubChem CID 65046271) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
PubChem CID65046271
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
SMILESCCC(NC1CCCC1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-3-13(12-8-5-4-6-9-12)16-14-10-7-11-15(14)19(2,17)18/h4-6,8-9,13-16H,3,7,10-11H2,1-2H3
InChIKeyDPRBXCOLAMCNMM-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044520
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
2-methyl-N-(1-phenylpropyl)thian-3-amine
CID 79957680
N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046156
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-cyclopropyl-N-(1-phenylpropyl)oxolan-3-amine
CID 113349312
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine (CID 65046271) is 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine is CCC(NC1CCCC1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine?
The InChIKey is DPRBXCOLAMCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-13(12-8-5-4-6-9-12)16-14-10-7-11-15(14)19(2,17)18/h4-6,8-9,13-16H,3,7,10-11H2,1-2H3.
What are the key properties of 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine?
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 65046271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).