[2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine

C13H25NS — CID 62720822

IUPAC[2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine
SMILESCC1CCCC(SC2CCCC2CN)C1
InChIInChI=1S/C13H25NS/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(13)9-14/h10-13H,2-9,14H2,1H3
InChIKeyPAMGYBDQHFVWFR-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.43
Rot. Bonds3

About [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine

[2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine (PubChem CID 62720822) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine
PubChem CID62720822
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name[2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine
SMILESCC1CCCC(SC2CCCC2CN)C1
InChIInChI=1S/C13H25NS/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(13)9-14/h10-13H,2-9,14H2,1H3
InChIKeyPAMGYBDQHFVWFR-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine?
The IUPAC name of [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine (CID 62720822) is [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine.
What is the SMILES notation for [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine?
The canonical SMILES for [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine is CC1CCCC(SC2CCCC2CN)C1.
What is the InChIKey of [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine?
The InChIKey is PAMGYBDQHFVWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(13)9-14/h10-13H,2-9,14H2,1H3.
What are the key properties of [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine?
[2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine has a molecular weight of 227.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylcyclohexyl)sulfanylcyclopentyl]methanamine is sourced from PubChem (CID 62720822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).