(2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide

C11H18N2O2S — CID 39782750

IUPAC(2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide
SMILESCc1cc(CN[C@H](C(N)=O)[C@@H](C)O)c(C)s1
InChIInChI=1S/C11H18N2O2S/c1-6-4-9(8(3)16-6)5-13-10(7(2)14)11(12)15/h4,7,10,13-14H,5H2,1-3H3,(H2,12,15)/t7-,10+/m1/s1
InChIKeyZKERIONZRKGCGQ-XCBNKYQSSA-N
MW242.34 g/mol
LogP0.69
Rot. Bonds5

About (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide

(2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide (PubChem CID 39782750) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide
PubChem CID39782750
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide
SMILESCc1cc(CN[C@H](C(N)=O)[C@@H](C)O)c(C)s1
InChIInChI=1S/C11H18N2O2S/c1-6-4-9(8(3)16-6)5-13-10(7(2)14)11(12)15/h4,7,10,13-14H,5H2,1-3H3,(H2,12,15)/t7-,10+/m1/s1
InChIKeyZKERIONZRKGCGQ-XCBNKYQSSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide 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 (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide (CID 39782750) is (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide is Cc1cc(CN[C@H](C(N)=O)[C@@H](C)O)c(C)s1.
What is the InChIKey of (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide?
The InChIKey is ZKERIONZRKGCGQ-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6-4-9(8(3)16-6)5-13-10(7(2)14)11(12)15/h4,7,10,13-14H,5H2,1-3H3,(H2,12,15)/t7-,10+/m1/s1.
What are the key properties of (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide?
(2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide has a molecular weight of 242.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide is sourced from PubChem (CID 39782750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).