3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide

C11H15N3O2S2 — CID 106597902

IUPAC3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(C1CCC1)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H15N3O2S2/c1-14(8-4-2-5-8)18(15,16)9-6-3-7-13-10(9)11(12)17/h3,6-8H,2,4-5H2,1H3,(H2,12,17)
InChIKeyMEUJPWWNKCNNFB-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.89
Rot. Bonds4

About 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide

3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597902) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106597902
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(C1CCC1)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H15N3O2S2/c1-14(8-4-2-5-8)18(15,16)9-6-3-7-13-10(9)11(12)17/h3,6-8H,2,4-5H2,1H3,(H2,12,17)
InChIKeyMEUJPWWNKCNNFB-UHFFFAOYSA-N
XLogP0.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.89
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-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596341
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596563
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)pyridine-2-carbothioamide
CID 106597687
3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597307
3-[methyl(oxan-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597356
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597154

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide (CID 106597902) is 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide is CN(C1CCC1)S(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is MEUJPWWNKCNNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-14(8-4-2-5-8)18(15,16)9-6-3-7-13-10(9)11(12)17/h3,6-8H,2,4-5H2,1H3,(H2,12,17).
What are the key properties of 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 285.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).