3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide

C12H17N3O2S2 — CID 106597307

IUPAC3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CCCC1NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C12H17N3O2S2/c1-8-4-2-5-9(8)15-19(16,17)10-6-3-7-14-11(10)12(13)18/h3,6-9,15H,2,4-5H2,1H3,(H2,13,18)
InChIKeyMBKQDCMMVVZKRS-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.18
Rot. Bonds4

About 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide

3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597307) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106597307
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1CCCC1NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C12H17N3O2S2/c1-8-4-2-5-9(8)15-19(16,17)10-6-3-7-14-11(10)12(13)18/h3,6-9,15H,2,4-5H2,1H3,(H2,13,18)
InChIKeyMBKQDCMMVVZKRS-UHFFFAOYSA-N
XLogP1.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
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-methylpiperidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596742
3-(thian-4-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597890
3-(oxan-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597324
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
4-chloro-3-[(2-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 80704139
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106189206
3-[(2,6-dibromophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107600488
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)pyridine-2-carbothioamide
CID 106597687
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide (CID 106597307) is 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide is CC1CCCC1NS(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is MBKQDCMMVVZKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-8-4-2-5-9(8)15-19(16,17)10-6-3-7-14-11(10)12(13)18/h3,6-9,15H,2,4-5H2,1H3,(H2,13,18).
What are the key properties of 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide?
3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 299.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).