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

C13H22N2O2S2 — CID 90155739

IUPAC5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
SMILESCCCCCNC(=O)CCCC(=O)N1CCSC1=S
InChIInChI=1S/C13H22N2O2S2/c1-2-3-4-8-14-11(16)6-5-7-12(17)15-9-10-19-13(15)18/h2-10H2,1H3,(H,14,16)
InChIKeyQIZUFEDVGCGAMX-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.32
Rot. Bonds8

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

5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide (PubChem CID 90155739) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide.

Molecular Properties

Compound Name5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
PubChem CID90155739
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
SMILESCCCCCNC(=O)CCCC(=O)N1CCSC1=S
InChIInChI=1S/C13H22N2O2S2/c1-2-3-4-8-14-11(16)6-5-7-12(17)15-9-10-19-13(15)18/h2-10H2,1H3,(H,14,16)
InChIKeyQIZUFEDVGCGAMX-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.32
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 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The IUPAC name of 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide (CID 90155739) is 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide.
What is the SMILES notation for 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The canonical SMILES for 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide is CCCCCNC(=O)CCCC(=O)N1CCSC1=S.
What is the InChIKey of 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
The InChIKey is QIZUFEDVGCGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-2-3-4-8-14-11(16)6-5-7-12(17)15-9-10-19-13(15)18/h2-10H2,1H3,(H,14,16).
What are the key properties of 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide?
5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide has a molecular weight of 302.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-pentyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide is sourced from PubChem (CID 90155739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).