2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine

C14H21NO2S — CID 64654219

IUPAC2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CS(=O)C2CCCC2)c1
InChIInChI=1S/C14H21NO2S/c1-17-12-6-4-5-11(9-12)14(15)10-18(16)13-7-2-3-8-13/h4-6,9,13-14H,2-3,7-8,10,15H2,1H3
InChIKeyXSISAHHKBFAPRM-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.39
Rot. Bonds5

About 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine

2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 64654219) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine
PubChem CID64654219
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CS(=O)C2CCCC2)c1
InChIInChI=1S/C14H21NO2S/c1-17-12-6-4-5-11(9-12)14(15)10-18(16)13-7-2-3-8-13/h4-6,9,13-14H,2-3,7-8,10,15H2,1H3
InChIKeyXSISAHHKBFAPRM-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64658769
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 65320749

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine (CID 64654219) is 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CS(=O)C2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is XSISAHHKBFAPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-17-12-6-4-5-11(9-12)14(15)10-18(16)13-7-2-3-8-13/h4-6,9,13-14H,2-3,7-8,10,15H2,1H3.
What are the key properties of 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine?
2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 267.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 64654219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).