3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide

C11H15N3O2S2 — CID 106596618

IUPAC3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
SMILESCC(NS(=O)(=O)c1cccnc1C(N)=S)C1CC1
InChIInChI=1S/C11H15N3O2S2/c1-7(8-4-5-8)14-18(15,16)9-3-2-6-13-10(9)11(12)17/h2-3,6-8,14H,4-5H2,1H3,(H2,12,17)
InChIKeyPQMUJFPNWYWQLM-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.79
Rot. Bonds5

About 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide

3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106596618) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106596618
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
SMILESCC(NS(=O)(=O)c1cccnc1C(N)=S)C1CC1
InChIInChI=1S/C11H15N3O2S2/c1-7(8-4-5-8)14-18(15,16)9-3-2-6-13-10(9)11(12)17/h2-3,6-8,14H,4-5H2,1H3,(H2,12,17)
InChIKeyPQMUJFPNWYWQLM-UHFFFAOYSA-N
XLogP0.79
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.79
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-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
3-(3,3-dimethylbutan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597826
methyl 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 106596603
3-(thian-4-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597890
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597307
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(2-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107642035
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylpyridine-2-carbothioamide
CID 106835967
4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
CID 43533575
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide (CID 106596618) is 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide is CC(NS(=O)(=O)c1cccnc1C(N)=S)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is PQMUJFPNWYWQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-7(8-4-5-8)14-18(15,16)9-3-2-6-13-10(9)11(12)17/h2-3,6-8,14H,4-5H2,1H3,(H2,12,17).
What are the key properties of 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide?
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 285.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106596618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).