[1-(2-aminophenyl)cyclopentyl]methanethiol

C12H17NS — CID 115025519

IUPAC[1-(2-aminophenyl)cyclopentyl]methanethiol
SMILESNc1ccccc1C1(CS)CCCC1
InChIInChI=1S/C12H17NS/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6,14H,3-4,7-9,13H2
InChIKeyNFPMBZLQCULLGJ-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.01
Rot. Bonds2

About [1-(2-aminophenyl)cyclopentyl]methanethiol

[1-(2-aminophenyl)cyclopentyl]methanethiol (PubChem CID 115025519) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is [1-(2-aminophenyl)cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-(2-aminophenyl)cyclopentyl]methanethiol
PubChem CID115025519
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name[1-(2-aminophenyl)cyclopentyl]methanethiol
SMILESNc1ccccc1C1(CS)CCCC1
InChIInChI=1S/C12H17NS/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6,14H,3-4,7-9,13H2
InChIKeyNFPMBZLQCULLGJ-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminophenyl)cyclopentyl]methanethiol?
The IUPAC name of [1-(2-aminophenyl)cyclopentyl]methanethiol (CID 115025519) is [1-(2-aminophenyl)cyclopentyl]methanethiol.
What is the SMILES notation for [1-(2-aminophenyl)cyclopentyl]methanethiol?
The canonical SMILES for [1-(2-aminophenyl)cyclopentyl]methanethiol is Nc1ccccc1C1(CS)CCCC1.
What is the InChIKey of [1-(2-aminophenyl)cyclopentyl]methanethiol?
The InChIKey is NFPMBZLQCULLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6,14H,3-4,7-9,13H2.
What are the key properties of [1-(2-aminophenyl)cyclopentyl]methanethiol?
[1-(2-aminophenyl)cyclopentyl]methanethiol has a molecular weight of 207.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminophenyl)cyclopentyl]methanethiol is sourced from PubChem (CID 115025519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).