4-(2-amino-2-phenylethyl)sulfanylphenol

C14H15NOS — CID 55241313

IUPAC4-(2-amino-2-phenylethyl)sulfanylphenol
SMILESNC(CSc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C14H15NOS/c15-14(11-4-2-1-3-5-11)10-17-13-8-6-12(16)7-9-13/h1-9,14,16H,10,15H2
InChIKeyQSASBOIUGGCVJV-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.18
Rot. Bonds4

About 4-(2-amino-2-phenylethyl)sulfanylphenol

4-(2-amino-2-phenylethyl)sulfanylphenol (PubChem CID 55241313) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(2-amino-2-phenylethyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2-amino-2-phenylethyl)sulfanylphenol
PubChem CID55241313
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(2-amino-2-phenylethyl)sulfanylphenol
SMILESNC(CSc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C14H15NOS/c15-14(11-4-2-1-3-5-11)10-17-13-8-6-12(16)7-9-13/h1-9,14,16H,10,15H2
InChIKeyQSASBOIUGGCVJV-UHFFFAOYSA-N
XLogP3.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-amino-2-phenylethyl)sulfanylphenol 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 4-(2-amino-2-phenylethyl)sulfanylphenol?
The IUPAC name of 4-(2-amino-2-phenylethyl)sulfanylphenol (CID 55241313) is 4-(2-amino-2-phenylethyl)sulfanylphenol.
What is the SMILES notation for 4-(2-amino-2-phenylethyl)sulfanylphenol?
The canonical SMILES for 4-(2-amino-2-phenylethyl)sulfanylphenol is NC(CSc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-phenylethyl)sulfanylphenol?
The InChIKey is QSASBOIUGGCVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-14(11-4-2-1-3-5-11)10-17-13-8-6-12(16)7-9-13/h1-9,14,16H,10,15H2.
What are the key properties of 4-(2-amino-2-phenylethyl)sulfanylphenol?
4-(2-amino-2-phenylethyl)sulfanylphenol has a molecular weight of 245.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylethyl)sulfanylphenol is sourced from PubChem (CID 55241313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).