(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide

C11H16N2O3S — CID 78977442

IUPAC(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(12)11(14)13-7-9-3-5-10(6-4-9)17(2,15)16/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyJEQXDDDALKEEPE-QMMMGPOBSA-N
MW256.33 g/mol
LogP0.05
Rot. Bonds4

About (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide

(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide (PubChem CID 78977442) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
PubChem CID78977442
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(12)11(14)13-7-9-3-5-10(6-4-9)17(2,15)16/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyJEQXDDDALKEEPE-QMMMGPOBSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(4-methylsulfonylphenyl)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-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
4-amino-2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 80543738
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
1-[(2S)-2-hydroxypropyl]-3-[(4-methylsulfonylphenyl)methyl]urea
CID 94151759
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61068703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide (CID 78977442) is (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide is C[C@H](N)C(=O)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The InChIKey is JEQXDDDALKEEPE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(12)11(14)13-7-9-3-5-10(6-4-9)17(2,15)16/h3-6,8H,7,12H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide?
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide has a molecular weight of 256.33 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 78977442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).