5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide

C10H11N3O4S3 — CID 106271428

IUPAC5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NC2CCC(=O)NC2=O)s1
InChIInChI=1S/C10H11N3O4S3/c11-9(18)6-2-4-8(19-6)20(16,17)13-5-1-3-7(14)12-10(5)15/h2,4-5,13H,1,3H2,(H2,11,18)(H,12,14,15)
InChIKeyFDMHIAYNBCINSJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP-0.53
Rot. Bonds4

About 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide

5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271428) has the molecular formula C10H11N3O4S3 and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106271428
Molecular FormulaC10H11N3O4S3
Molecular Weight333.42 g/mol
Exact Mass332.99
IUPAC Name5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NC2CCC(=O)NC2=O)s1
InChIInChI=1S/C10H11N3O4S3/c11-9(18)6-2-4-8(19-6)20(16,17)13-5-1-3-7(14)12-10(5)15/h2,4-5,13H,1,3H2,(H2,11,18)(H,12,14,15)
InChIKeyFDMHIAYNBCINSJ-UHFFFAOYSA-N
XLogP-0.53
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide (CID 106271428) is 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)NC2CCC(=O)NC2=O)s1.
What is the InChIKey of 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is FDMHIAYNBCINSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S3/c11-9(18)6-2-4-8(19-6)20(16,17)13-5-1-3-7(14)12-10(5)15/h2,4-5,13H,1,3H2,(H2,11,18)(H,12,14,15).
What are the key properties of 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide?
5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 333.42 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).