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

C9H16N2O2S2 — CID 13048730

IUPACN-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
SMILESCSCC(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)
InChIKeyZOPORZNMYDATTH-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.39
Rot. Bonds4

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

N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide (PubChem CID 13048730) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
PubChem CID13048730
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
SMILESCSCC(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)
InChIKeyZOPORZNMYDATTH-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
The IUPAC name of N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide (CID 13048730) is N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide is CSCC(NC(C)=O)C(=O)N1CCSC1.
What is the InChIKey of N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
The InChIKey is ZOPORZNMYDATTH-UHFFFAOYSA-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).
What are the key properties of N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide?
N-[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-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 13048730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).