1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol

C13H19NOS — CID 79148826

IUPAC1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol
SMILESCc1cc(SCC2(O)CCCC2)ccc1N
InChIInChI=1S/C13H19NOS/c1-10-8-11(4-5-12(10)14)16-9-13(15)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyUMOLEIUNJBEHHY-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.97
Rot. Bonds3

About 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol

1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol (PubChem CID 79148826) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol
PubChem CID79148826
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol
SMILESCc1cc(SCC2(O)CCCC2)ccc1N
InChIInChI=1S/C13H19NOS/c1-10-8-11(4-5-12(10)14)16-9-13(15)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyUMOLEIUNJBEHHY-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol (CID 79148826) is 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol is Cc1cc(SCC2(O)CCCC2)ccc1N.
What is the InChIKey of 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol?
The InChIKey is UMOLEIUNJBEHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-8-11(4-5-12(10)14)16-9-13(15)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9,14H2,1H3.
What are the key properties of 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol?
1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-methylphenyl)sulfanylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 79148826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).