3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide

C12H17N3O2S2 — CID 106596563

IUPAC3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCCN(C1CC1)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C12H17N3O2S2/c1-2-8-15(9-5-6-9)19(16,17)10-4-3-7-14-11(10)12(13)18/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,18)
InChIKeyHNZJORHVWLNKLT-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.28
Rot. Bonds6

About 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide

3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106596563) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106596563
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCCN(C1CC1)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C12H17N3O2S2/c1-2-8-15(9-5-6-9)19(16,17)10-4-3-7-14-11(10)12(13)18/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,18)
InChIKeyHNZJORHVWLNKLT-UHFFFAOYSA-N
XLogP1.28
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-(dibutylsulfamoyl)pyridine-2-carbothioamide
CID 106596522
N-cyclopropyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144651
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596341
N-cyclopropyl-3-fluoro-N-propylpyridine-2-sulfonamide
CID 103299212
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
2-[(2-carbamothioyl-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 106596962
2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264373

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide (CID 106596563) is 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide is CCCN(C1CC1)S(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is HNZJORHVWLNKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-2-8-15(9-5-6-9)19(16,17)10-4-3-7-14-11(10)12(13)18/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,18).
What are the key properties of 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide?
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 299.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106596563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).