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

C11H15N3O3S2 — CID 106596981

IUPAC3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C11H15N3O3S2/c12-11(18)10-9(2-1-5-13-10)19(16,17)14(6-7-15)8-3-4-8/h1-2,5,8,15H,3-4,6-7H2,(H2,12,18)
InChIKeySNOWWXIOPOLDHV-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.14
Rot. Bonds6

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

3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106596981) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106596981
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C11H15N3O3S2/c12-11(18)10-9(2-1-5-13-10)19(16,17)14(6-7-15)8-3-4-8/h1-2,5,8,15H,3-4,6-7H2,(H2,12,18)
InChIKeySNOWWXIOPOLDHV-UHFFFAOYSA-N
XLogP-0.14
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596563
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114230219
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
3-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596982
3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596341
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide (CID 106596981) is 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)N(CCO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is SNOWWXIOPOLDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c12-11(18)10-9(2-1-5-13-10)19(16,17)14(6-7-15)8-3-4-8/h1-2,5,8,15H,3-4,6-7H2,(H2,12,18).
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 301.39 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106596981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).