N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide

C9H16N2O2S2 — CID 13048731

IUPACN-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
SMILESCSC[C@H](NC(C)=O)C(=O)N1CCSC1
InChIInChI=1S/C9H16N2O2S2/c1-7(12)10-8(5-14-2)9(13)11-3-4-15-6-11/h8H,3-6H2,1-2H3,(H,10,12)/t8-/m0/s1
InChIKeyZOPORZNMYDATTH-QMMMGPOBSA-N
MW248.37 g/mol
LogP0.39
Rot. Bonds4

About N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide

N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide (PubChem CID 13048731) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
PubChem CID13048731
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
SMILESCSC[C@H](NC(C)=O)C(=O)N1CCSC1
InChIInChI=1S/C9H16N2O2S2/c1-7(12)10-8(5-14-2)9(13)11-3-4-15-6-11/h8H,3-6H2,1-2H3,(H,10,12)/t8-/m0/s1
InChIKeyZOPORZNMYDATTH-QMMMGPOBSA-N
XLogP0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide 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 N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide (CID 13048731) is N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide is CSC[C@H](NC(C)=O)C(=O)N1CCSC1.
What is the InChIKey of N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
The InChIKey is ZOPORZNMYDATTH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7(12)10-8(5-14-2)9(13)11-3-4-15-6-11/h8H,3-6H2,1-2H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide has a molecular weight of 248.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 13048731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).