3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol

C18H23NOS — CID 66138230

IUPAC3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol
SMILESCC(CCO)SC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-14(12-13-20)21-18(16-10-6-3-7-11-16)17(19)15-8-4-2-5-9-15/h2-11,14,17-18,20H,12-13,19H2,1H3
InChIKeySUUYXDZFYLFAIP-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.93
Rot. Bonds7

About 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol

3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol (PubChem CID 66138230) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol
PubChem CID66138230
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol
SMILESCC(CCO)SC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-14(12-13-20)21-18(16-10-6-3-7-11-16)17(19)15-8-4-2-5-9-15/h2-11,14,17-18,20H,12-13,19H2,1H3
InChIKeySUUYXDZFYLFAIP-UHFFFAOYSA-N
XLogP3.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol 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 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol?
The IUPAC name of 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol (CID 66138230) is 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol is CC(CCO)SC(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol?
The InChIKey is SUUYXDZFYLFAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14(12-13-20)21-18(16-10-6-3-7-11-16)17(19)15-8-4-2-5-9-15/h2-11,14,17-18,20H,12-13,19H2,1H3.
What are the key properties of 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol?
3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol has a molecular weight of 301.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,2-diphenylethyl)sulfanylbutan-1-ol is sourced from PubChem (CID 66138230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).