N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide

C12H20N2O2S2 — CID 144630107

IUPACN-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
SMILESCCCCNC(=O)CCCC(=O)N1CCSC1=S
InChIInChI=1S/C12H20N2O2S2/c1-2-3-7-13-10(15)5-4-6-11(16)14-8-9-18-12(14)17/h2-9H2,1H3,(H,13,15)
InChIKeyCJNAYOBTZSOJNO-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.93
Rot. Bonds7

About N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide

N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide (PubChem CID 144630107) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide.

Molecular Properties

Compound NameN-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
PubChem CID144630107
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
SMILESCCCCNC(=O)CCCC(=O)N1CCSC1=S
InChIInChI=1S/C12H20N2O2S2/c1-2-3-7-13-10(15)5-4-6-11(16)14-8-9-18-12(14)17/h2-9H2,1H3,(H,13,15)
InChIKeyCJNAYOBTZSOJNO-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The IUPAC name of N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide (CID 144630107) is N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide.
What is the SMILES notation for N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The canonical SMILES for N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide is CCCCNC(=O)CCCC(=O)N1CCSC1=S.
What is the InChIKey of N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The InChIKey is CJNAYOBTZSOJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-2-3-7-13-10(15)5-4-6-11(16)14-8-9-18-12(14)17/h2-9H2,1H3,(H,13,15).
What are the key properties of N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide has a molecular weight of 288.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide is sourced from PubChem (CID 144630107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).