2-(3-methylsulfanylanilino)cyclopentan-1-ol

C12H17NOS — CID 60886676

IUPAC2-(3-methylsulfanylanilino)cyclopentan-1-ol
SMILESCSc1cccc(NC2CCCC2O)c1
InChIInChI=1S/C12H17NOS/c1-15-10-5-2-4-9(8-10)13-11-6-3-7-12(11)14/h2,4-5,8,11-14H,3,6-7H2,1H3
InChIKeyNALWZWUGMUCDDC-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-methylsulfanylanilino)cyclopentan-1-ol

2-(3-methylsulfanylanilino)cyclopentan-1-ol (PubChem CID 60886676) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(3-methylsulfanylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3-methylsulfanylanilino)cyclopentan-1-ol
PubChem CID60886676
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(3-methylsulfanylanilino)cyclopentan-1-ol
SMILESCSc1cccc(NC2CCCC2O)c1
InChIInChI=1S/C12H17NOS/c1-15-10-5-2-4-9(8-10)13-11-6-3-7-12(11)14/h2,4-5,8,11-14H,3,6-7H2,1H3
InChIKeyNALWZWUGMUCDDC-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(3-methylsulfanylanilino)cyclohexan-1-ol
CID 102730841
N-(2-methylcyclohexyl)-3-methylsulfanylaniline
CID 43105027
trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
trans-(1S,2S)-2-(3-ethynylanilino)cyclohexan-1-ol
CID 102730833
N-[(1S,3R)-3-methylcyclopentyl]-3-methylsulfanylaniline
CID 95376135
N-(3-methylsulfanylphenyl)oxepan-4-amine
CID 65076766
1-N-(3-methylsulfanylphenyl)cyclobutane-1,3-diamine
CID 80559355
N-(3-methylsulfanylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43757292

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylanilino)cyclopentan-1-ol?
The IUPAC name of 2-(3-methylsulfanylanilino)cyclopentan-1-ol (CID 60886676) is 2-(3-methylsulfanylanilino)cyclopentan-1-ol.
What is the SMILES notation for 2-(3-methylsulfanylanilino)cyclopentan-1-ol?
The canonical SMILES for 2-(3-methylsulfanylanilino)cyclopentan-1-ol is CSc1cccc(NC2CCCC2O)c1.
What is the InChIKey of 2-(3-methylsulfanylanilino)cyclopentan-1-ol?
The InChIKey is NALWZWUGMUCDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-15-10-5-2-4-9(8-10)13-11-6-3-7-12(11)14/h2,4-5,8,11-14H,3,6-7H2,1H3.
What are the key properties of 2-(3-methylsulfanylanilino)cyclopentan-1-ol?
2-(3-methylsulfanylanilino)cyclopentan-1-ol has a molecular weight of 223.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylanilino)cyclopentan-1-ol is sourced from PubChem (CID 60886676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).