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

C12H17NO2S — CID 115139196

IUPAC3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(C)C(=O)CCO)cc1
InChIInChI=1S/C12H17NO2S/c1-13(12(15)7-8-14)9-10-3-5-11(16-2)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyQDUXBWQCVHWMSC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.75
Rot. Bonds5

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

3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide (PubChem CID 115139196) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
PubChem CID115139196
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(C)C(=O)CCO)cc1
InChIInChI=1S/C12H17NO2S/c1-13(12(15)7-8-14)9-10-3-5-11(16-2)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyQDUXBWQCVHWMSC-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-methyl-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

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
CID 115139143
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 78794208
3-amino-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea
CID 115192806
N-methyl-N-[(4-methylsulfanylphenyl)methyl]prop-2-enamide
CID 43616405
2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62734863
N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139144
N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide (CID 115139196) is 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide is CSc1ccc(CN(C)C(=O)CCO)cc1.
What is the InChIKey of 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The InChIKey is QDUXBWQCVHWMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-13(12(15)7-8-14)9-10-3-5-11(16-2)6-4-10/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide has a molecular weight of 239.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide is sourced from PubChem (CID 115139196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).