[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine

C13H19NOS — CID 43530473

IUPAC[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine
SMILESCOc1ccc(SC2CCCC2CN)cc1
InChIInChI=1S/C13H19NOS/c1-15-11-5-7-12(8-6-11)16-13-4-2-3-10(13)9-14/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeyYKAPGWNHYDMIEP-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.91
Rot. Bonds4

About [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine

[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine (PubChem CID 43530473) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine
PubChem CID43530473
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine
SMILESCOc1ccc(SC2CCCC2CN)cc1
InChIInChI=1S/C13H19NOS/c1-15-11-5-7-12(8-6-11)16-13-4-2-3-10(13)9-14/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeyYKAPGWNHYDMIEP-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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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine (CID 43530473) is [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine is COc1ccc(SC2CCCC2CN)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine?
The InChIKey is YKAPGWNHYDMIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-11-5-7-12(8-6-11)16-13-4-2-3-10(13)9-14/h5-8,10,13H,2-4,9,14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine?
[2-(4-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-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine is sourced from PubChem (CID 43530473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).