2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide

C11H14N4O3S2 — CID 106596660

IUPAC2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H14N4O3S2/c12-11(19)10-8(2-1-5-13-10)20(17,18)14-6-9(16)15-7-3-4-7/h1-2,5,7,14H,3-4,6H2,(H2,12,19)(H,15,16)
InChIKeyYCKPNSVZHLGAFR-UHFFFAOYSA-N
MW314.39 g/mol
LogP-0.73
Rot. Bonds6

About 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide

2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 106596660) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID106596660
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H14N4O3S2/c12-11(19)10-8(2-1-5-13-10)20(17,18)14-6-9(16)15-7-3-4-7/h1-2,5,7,14H,3-4,6H2,(H2,12,19)(H,15,16)
InChIKeyYCKPNSVZHLGAFR-UHFFFAOYSA-N
XLogP-0.73
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62146294
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 106597853
3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597777
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106597230
3-(thian-4-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597890
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
3-(oxan-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597324
3-[(2-ethoxy-2-methylpropyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597973
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide (CID 106596660) is 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide is NC(=S)c1ncccc1S(=O)(=O)NCC(=O)NC1CC1.
What is the InChIKey of 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is YCKPNSVZHLGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c12-11(19)10-8(2-1-5-13-10)20(17,18)14-6-9(16)15-7-3-4-7/h1-2,5,7,14H,3-4,6H2,(H2,12,19)(H,15,16).
What are the key properties of 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide?
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 314.39 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 106596660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).