[1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol

C10H13NOS — CID 116994273

IUPAC[1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol
SMILESNc1ccc(C2(CO)CC2)cc1S
InChIInChI=1S/C10H13NOS/c11-8-2-1-7(5-9(8)13)10(6-12)3-4-10/h1-2,5,12-13H,3-4,6,11H2
InChIKeyNTEQTJIBANOSRB-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.58
Rot. Bonds2

About [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol

[1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol (PubChem CID 116994273) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol
PubChem CID116994273
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name[1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol
SMILESNc1ccc(C2(CO)CC2)cc1S
InChIInChI=1S/C10H13NOS/c11-8-2-1-7(5-9(8)13)10(6-12)3-4-10/h1-2,5,12-13H,3-4,6,11H2
InChIKeyNTEQTJIBANOSRB-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol?
The IUPAC name of [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol (CID 116994273) is [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol is Nc1ccc(C2(CO)CC2)cc1S.
What is the InChIKey of [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol?
The InChIKey is NTEQTJIBANOSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-8-2-1-7(5-9(8)13)10(6-12)3-4-10/h1-2,5,12-13H,3-4,6,11H2.
What are the key properties of [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol?
[1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol has a molecular weight of 195.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-3-sulfanylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 116994273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).