N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine

C15H23NO2S — CID 50982811

IUPACN-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
SMILESCCC(NC1CCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-3-15(16-13-6-4-5-7-13)12-8-10-14(11-9-12)19(2,17)18/h8-11,13,15-16H,3-7H2,1-2H3
InChIKeyNWRYRPXPSFCLNZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine

N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine (PubChem CID 50982811) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
PubChem CID50982811
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
SMILESCCC(NC1CCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-3-15(16-13-6-4-5-7-13)12-8-10-14(11-9-12)19(2,17)18/h8-11,13,15-16H,3-7H2,1-2H3
InChIKeyNWRYRPXPSFCLNZ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
CID 104986583
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine (CID 50982811) is N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine is CCC(NC1CCCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine?
The InChIKey is NWRYRPXPSFCLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-15(16-13-6-4-5-7-13)12-8-10-14(11-9-12)19(2,17)18/h8-11,13,15-16H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine?
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine has a molecular weight of 281.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine is sourced from PubChem (CID 50982811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).