5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide

C10H13N3O2S2 — CID 114614412

IUPAC5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CC1NS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H13N3O2S2/c1-6-4-9(6)13-17(14,15)7-2-3-8(10(11)16)12-5-7/h2-3,5-6,9,13H,4H2,1H3,(H2,11,16)
InChIKeyXDQJSXLUHTZSAG-UHFFFAOYSA-N
MW271.37 g/mol
LogP0.40
Rot. Bonds4

About 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide

5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614412) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614412
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CC1NS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H13N3O2S2/c1-6-4-9(6)13-17(14,15)7-2-3-8(10(11)16)12-5-7/h2-3,5-6,9,13H,4H2,1H3,(H2,11,16)
InChIKeyXDQJSXLUHTZSAG-UHFFFAOYSA-N
XLogP0.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
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 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide (CID 114614412) is 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide is CC1CC1NS(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is XDQJSXLUHTZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-6-4-9(6)13-17(14,15)7-2-3-8(10(11)16)12-5-7/h2-3,5-6,9,13H,4H2,1H3,(H2,11,16).
What are the key properties of 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide?
5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 271.37 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).