3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide

C13H17N3O2S2 — CID 106596886

IUPAC3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H17N3O2S2/c14-13(19)12-10(2-1-7-15-12)20(17,18)16-11(8-3-4-8)9-5-6-9/h1-2,7-9,11,16H,3-6H2,(H2,14,19)
InChIKeySDHUZOIYAVRZQK-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.18
Rot. Bonds6

About 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide

3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106596886) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106596886
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H17N3O2S2/c14-13(19)12-10(2-1-7-15-12)20(17,18)16-11(8-3-4-8)9-5-6-9/h1-2,7-9,11,16H,3-6H2,(H2,14,19)
InChIKeySDHUZOIYAVRZQK-UHFFFAOYSA-N
XLogP1.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
3-(3,3-dimethylbutan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597826
3-(thian-4-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597890
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 106597853
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106597230
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597307
methyl 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 106596603
3-(1-imidazol-1-ylpropan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596888
3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596301

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide (CID 106596886) is 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is SDHUZOIYAVRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c14-13(19)12-10(2-1-7-15-12)20(17,18)16-11(8-3-4-8)9-5-6-9/h1-2,7-9,11,16H,3-6H2,(H2,14,19).
What are the key properties of 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide?
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 311.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106596886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).