[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine

C13H19NOS — CID 61290925

IUPAC[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine
SMILESCOc1ccccc1SC1CCCC1CN
InChIInChI=1S/C13H19NOS/c1-15-11-6-2-3-7-13(11)16-12-8-4-5-10(12)9-14/h2-3,6-7,10,12H,4-5,8-9,14H2,1H3
InChIKeyXTYBOANYUAEDQK-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.91
Rot. Bonds4

About [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine

[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine (PubChem CID 61290925) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine
PubChem CID61290925
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine
SMILESCOc1ccccc1SC1CCCC1CN
InChIInChI=1S/C13H19NOS/c1-15-11-6-2-3-7-13(11)16-12-8-4-5-10(12)9-14/h2-3,6-7,10,12H,4-5,8-9,14H2,1H3
InChIKeyXTYBOANYUAEDQK-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine
CID 64628119
[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine
CID 43530473
2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
CID 61296540
2-(2-methoxyphenyl)sulfanyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64627123
2-(2-methoxyphenyl)sulfanylcycloheptane-1-carboxylic acid
CID 63098270
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine
CID 103465084
N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
CID 64628532
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine?
The IUPAC name of [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine (CID 61290925) is [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine.
What is the SMILES notation for [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine?
The canonical SMILES for [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine is COc1ccccc1SC1CCCC1CN.
What is the InChIKey of [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine?
The InChIKey is XTYBOANYUAEDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-11-6-2-3-7-13(11)16-12-8-4-5-10(12)9-14/h2-3,6-7,10,12H,4-5,8-9,14H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine?
[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine is sourced from PubChem (CID 61290925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).