N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide

C8H12N2O2S2 — CID 11107214

IUPACN-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCSC1=S
InChIInChI=1S/C8H12N2O2S2/c1-6(11)9-3-2-7(12)10-4-5-14-8(10)13/h2-5H2,1H3,(H,9,11)
InChIKeyBGGIUPPNLRAUGP-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.37
Rot. Bonds3

About N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide

N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide (PubChem CID 11107214) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide
PubChem CID11107214
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC NameN-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCSC1=S
InChIInChI=1S/C8H12N2O2S2/c1-6(11)9-3-2-7(12)10-4-5-14-8(10)13/h2-5H2,1H3,(H,9,11)
InChIKeyBGGIUPPNLRAUGP-UHFFFAOYSA-N
XLogP0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide?
The IUPAC name of N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide (CID 11107214) is N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide.
What is the SMILES notation for N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide?
The canonical SMILES for N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide is CC(=O)NCCC(=O)N1CCSC1=S.
What is the InChIKey of N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide?
The InChIKey is BGGIUPPNLRAUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-6(11)9-3-2-7(12)10-4-5-14-8(10)13/h2-5H2,1H3,(H,9,11).
What are the key properties of N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide?
N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide has a molecular weight of 232.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]acetamide is sourced from PubChem (CID 11107214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).