(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide

C11H17N3O3S — CID 119277174

IUPAC(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-8(12)11(15)13-7-9-4-3-5-10(6-9)14-18(2,16)17/h3-6,8,14H,7,12H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyYNZJCMRYADLBQX-MRVPVSSYSA-N
MW271.34 g/mol
LogP0.02
Rot. Bonds5

About (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide

(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide (PubChem CID 119277174) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
PubChem CID119277174
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H17N3O3S/c1-8(12)11(15)13-7-9-4-3-5-10(6-9)14-18(2,16)17/h3-6,8,14H,7,12H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyYNZJCMRYADLBQX-MRVPVSSYSA-N
XLogP0.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]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-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 47076520
1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
CID 41465627
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
(2R,3S)-2-[1-amino-1-(1,3-dioxobenzo[f]isoindol-2-yl)propan-2-yl]-3-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]hexanoic acid
CID 67557913
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide (CID 119277174) is (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide?
The InChIKey is YNZJCMRYADLBQX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(12)11(15)13-7-9-4-3-5-10(6-9)14-18(2,16)17/h3-6,8,14H,7,12H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide is sourced from PubChem (CID 119277174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).