3-(dibutylsulfamoyl)pyridine-2-carbothioamide

C14H23N3O2S2 — CID 106596522

IUPAC3-(dibutylsulfamoyl)pyridine-2-carbothioamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C14H23N3O2S2/c1-3-5-10-17(11-6-4-2)21(18,19)12-8-7-9-16-13(12)14(15)20/h7-9H,3-6,10-11H2,1-2H3,(H2,15,20)
InChIKeyOFORTCSGBDKVML-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.31
Rot. Bonds9

About 3-(dibutylsulfamoyl)pyridine-2-carbothioamide

3-(dibutylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106596522) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-(dibutylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(dibutylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106596522
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name3-(dibutylsulfamoyl)pyridine-2-carbothioamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C14H23N3O2S2/c1-3-5-10-17(11-6-4-2)21(18,19)12-8-7-9-16-13(12)14(15)20/h7-9H,3-6,10-11H2,1-2H3,(H2,15,20)
InChIKeyOFORTCSGBDKVML-UHFFFAOYSA-N
XLogP2.31
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.31
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

2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-[(2-carbamothioyl-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 106596962
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114230219
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596563
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
3-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596982
N-butyl-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 43383623
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(dibutylsulfamoyl)pyridine-2-carbothioamide (CID 106596522) is 3-(dibutylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(dibutylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(dibutylsulfamoyl)pyridine-2-carbothioamide is CCCCN(CCCC)S(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-(dibutylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is OFORTCSGBDKVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-5-10-17(11-6-4-2)21(18,19)12-8-7-9-16-13(12)14(15)20/h7-9H,3-6,10-11H2,1-2H3,(H2,15,20).
What are the key properties of 3-(dibutylsulfamoyl)pyridine-2-carbothioamide?
3-(dibutylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 329.49 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106596522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).