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

C10H15N3O3S2 — CID 114230219

IUPAC3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(CCCO)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C10H15N3O3S2/c1-13(6-3-7-14)18(15,16)8-4-2-5-12-9(8)10(11)17/h2,4-5,14H,3,6-7H2,1H3,(H2,11,17)
InChIKeyYQHHKEPYXBFDQF-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.28
Rot. Bonds6

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

3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114230219) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114230219
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCN(CCCO)S(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C10H15N3O3S2/c1-13(6-3-7-14)18(15,16)8-4-2-5-12-9(8)10(11)17/h2,4-5,14H,3,6-7H2,1H3,(H2,11,17)
InChIKeyYQHHKEPYXBFDQF-UHFFFAOYSA-N
XLogP-0.28
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.28
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-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596982
2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107197602
3-(dibutylsulfamoyl)pyridine-2-carbothioamide
CID 106596522
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
3-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596615
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
3-[methyl(oxan-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597356
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597154
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596563

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide (CID 114230219) is 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide is CN(CCCO)S(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is YQHHKEPYXBFDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-13(6-3-7-14)18(15,16)8-4-2-5-12-9(8)10(11)17/h2,4-5,14H,3,6-7H2,1H3,(H2,11,17).
What are the key properties of 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide?
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 289.38 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114230219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).