2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide

C11H16N4O3S2 — CID 114614169

IUPAC2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C11H16N4O3S2/c1-7(2)15-10(16)6-14-20(17,18)8-3-4-9(11(12)19)13-5-8/h3-5,7,14H,6H2,1-2H3,(H2,12,19)(H,15,16)
InChIKeyCQIJLOXFTPOKDH-UHFFFAOYSA-N
MW316.41 g/mol
LogP-0.48
Rot. Bonds6

About 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 114614169) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID114614169
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC Name2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C11H16N4O3S2/c1-7(2)15-10(16)6-14-20(17,18)8-3-4-9(11(12)19)13-5-8/h3-5,7,14H,6H2,1-2H3,(H2,12,19)(H,15,16)
InChIKeyCQIJLOXFTPOKDH-UHFFFAOYSA-N
XLogP-0.48
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide 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

3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 114614674
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 100814427
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
2-[(6-carbamothioyl-3-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 113320870
5-[(1-methoxy-3-methylbutan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614543
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
5-(heptan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 114614258
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 114614582

Frequently Asked Questions

What is the IUPAC name of 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide (CID 114614169) is 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is CQIJLOXFTPOKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-7(2)15-10(16)6-14-20(17,18)8-3-4-9(11(12)19)13-5-8/h3-5,7,14H,6H2,1-2H3,(H2,12,19)(H,15,16).
What are the key properties of 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 316.41 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 114614169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).