2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C12H16N4O3S2 — CID 114614334

IUPAC2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C12H16N4O3S2/c1-16(7-11(17)15-8-2-3-8)21(18,19)9-4-5-10(12(13)20)14-6-9/h4-6,8H,2-3,7H2,1H3,(H2,13,20)(H,15,17)
InChIKeyFMGKPOXDEVYAFL-UHFFFAOYSA-N
MW328.42 g/mol
LogP-0.39
Rot. Bonds6

About 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide

2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 114614334) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID114614334
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C12H16N4O3S2/c1-16(7-11(17)15-8-2-3-8)21(18,19)9-4-5-10(12(13)20)14-6-9/h4-6,8H,2-3,7H2,1H3,(H2,13,20)(H,15,17)
InChIKeyFMGKPOXDEVYAFL-UHFFFAOYSA-N
XLogP-0.39
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 114614582
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718

Frequently Asked Questions

What is the IUPAC name of 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 114614334) is 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is FMGKPOXDEVYAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-16(7-11(17)15-8-2-3-8)21(18,19)9-4-5-10(12(13)20)14-6-9/h4-6,8H,2-3,7H2,1H3,(H2,13,20)(H,15,17).
What are the key properties of 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 328.42 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 114614334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).