2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine

C14H21NO2S — CID 115847281

IUPAC2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)CC2CCCC2)c1
InChIInChI=1S/C14H21NO2S/c1-18(16,17)13-8-4-7-12(10-13)14(15)9-11-5-2-3-6-11/h4,7-8,10-11,14H,2-3,5-6,9,15H2,1H3
InChIKeyMWBCWIZFOMARMW-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.67
Rot. Bonds4

About 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine

2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 115847281) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID115847281
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)CC2CCCC2)c1
InChIInChI=1S/C14H21NO2S/c1-18(16,17)13-8-4-7-12(10-13)14(15)9-11-5-2-3-6-11/h4,7-8,10-11,14H,2-3,5-6,9,15H2,1H3
InChIKeyMWBCWIZFOMARMW-UHFFFAOYSA-N
XLogP2.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115847181
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine
CID 104988816
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
(3-methylsulfonylphenyl)-(oxan-3-yl)methanamine
CID 107139201
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine (CID 115847281) is 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1cccc(C(N)CC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is MWBCWIZFOMARMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-18(16,17)13-8-4-7-12(10-13)14(15)9-11-5-2-3-6-11/h4,7-8,10-11,14H,2-3,5-6,9,15H2,1H3.
What are the key properties of 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine?
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 267.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 115847281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).