[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine

C13H19NS — CID 66066343

IUPAC[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine
SMILESCc1ccc(SC2(CN)CCCC2)cc1
InChIInChI=1S/C13H19NS/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyWIQHRTCQIDULMI-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.36
Rot. Bonds3

About [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine

[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine (PubChem CID 66066343) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine
PubChem CID66066343
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine
SMILESCc1ccc(SC2(CN)CCCC2)cc1
InChIInChI=1S/C13H19NS/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyWIQHRTCQIDULMI-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine?
The IUPAC name of [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine (CID 66066343) is [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine is Cc1ccc(SC2(CN)CCCC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine?
The InChIKey is WIQHRTCQIDULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7H,2-3,8-10,14H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine?
[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine has a molecular weight of 221.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfanylcyclopentyl]methanamine is sourced from PubChem (CID 66066343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).