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

C13H19N3O3S2 — CID 106596988

IUPAC3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)N(CCO)C1CCCC1
InChIInChI=1S/C13H19N3O3S2/c14-13(20)12-11(6-3-7-15-12)21(18,19)16(8-9-17)10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2,(H2,14,20)
InChIKeyPREQIXNDUVKYDN-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.64
Rot. Bonds6

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

3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106596988) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106596988
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)N(CCO)C1CCCC1
InChIInChI=1S/C13H19N3O3S2/c14-13(20)12-11(6-3-7-15-12)21(18,19)16(8-9-17)10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2,(H2,14,20)
InChIKeyPREQIXNDUVKYDN-UHFFFAOYSA-N
XLogP0.64
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.64
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-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
3-[cyclopropyl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596563
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
3-[cyclobutyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597902
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114230219
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide
CID 65427997
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893452
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
3-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596982

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide (CID 106596988) is 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)N(CCO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is PREQIXNDUVKYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c14-13(20)12-11(6-3-7-15-12)21(18,19)16(8-9-17)10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2,(H2,14,20).
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 329.45 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106596988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).