3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide

C11H16N2O2S — CID 115180561

IUPAC3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CNC(=O)C(O)CN)cc1
InChIInChI=1S/C11H16N2O2S/c1-16-9-4-2-8(3-5-9)7-13-11(15)10(14)6-12/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyBVEATHOLIGSSEM-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.34
Rot. Bonds5

About 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide

3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide (PubChem CID 115180561) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
PubChem CID115180561
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CNC(=O)C(O)CN)cc1
InChIInChI=1S/C11H16N2O2S/c1-16-9-4-2-8(3-5-9)7-13-11(15)10(14)6-12/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyBVEATHOLIGSSEM-UHFFFAOYSA-N
XLogP0.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186990
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
2-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186573
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 106170579
N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
CID 115166260
4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide
CID 82679395
N-(2-fluoroethyl)-2-[(4-methylsulfanylphenyl)methylcarbamoylamino]propanamide
CID 119051485
(E)-N-[(4-methylsulfanylphenyl)methyl]but-2-enamide
CID 110470228
3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide (CID 115180561) is 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide is CSc1ccc(CNC(=O)C(O)CN)cc1.
What is the InChIKey of 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The InChIKey is BVEATHOLIGSSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16-9-4-2-8(3-5-9)7-13-11(15)10(14)6-12/h2-5,10,14H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide?
3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide has a molecular weight of 240.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide is sourced from PubChem (CID 115180561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).