3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide

C10H12N4O3S2 — CID 106189206

IUPAC3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H12N4O3S2/c11-10(18)9-7(2-1-3-12-9)19(16,17)14-6-4-8(15)13-5-6/h1-3,6,14H,4-5H2,(H2,11,18)(H,13,15)
InChIKeyZIMVNYLKQNNNOK-UHFFFAOYSA-N
MW300.37 g/mol
LogP-1.12
Rot. Bonds4

About 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide

3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106189206) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106189206
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H12N4O3S2/c11-10(18)9-7(2-1-3-12-9)19(16,17)14-6-4-8(15)13-5-6/h1-3,6,14H,4-5H2,(H2,11,18)(H,13,15)
InChIKeyZIMVNYLKQNNNOK-UHFFFAOYSA-N
XLogP-1.12
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(thian-4-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597890
3-(oxan-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597324
3-[(1-methylpiperidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596742
2-amino-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63663044
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696900
3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597307
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107143766
3-(phenylsulfamoyl)pyridine-2-carbothioamide
CID 106596278
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide (CID 106189206) is 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)NC1CNC(=O)C1.
What is the InChIKey of 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is ZIMVNYLKQNNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c11-10(18)9-7(2-1-3-12-9)19(16,17)14-6-4-8(15)13-5-6/h1-3,6,14H,4-5H2,(H2,11,18)(H,13,15).
What are the key properties of 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide?
3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 300.37 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106189206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).