2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide

C10H13N3OS — CID 62942859

IUPAC2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1N1CCC(O)C1
InChIInChI=1S/C10H13N3OS/c11-9(15)8-2-1-4-12-10(8)13-5-3-7(14)6-13/h1-2,4,7,14H,3,5-6H2,(H2,11,15)
InChIKeyJDAGSCXLFJOTDB-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.29
Rot. Bonds2

About 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide

2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide (PubChem CID 62942859) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
PubChem CID62942859
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1N1CCC(O)C1
InChIInChI=1S/C10H13N3OS/c11-9(15)8-2-1-4-12-10(8)13-5-3-7(14)6-13/h1-2,4,7,14H,3,5-6H2,(H2,11,15)
InChIKeyJDAGSCXLFJOTDB-UHFFFAOYSA-N
XLogP0.29
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.29
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

2-(4-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 24705416
2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-ol
CID 71649435
2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 24693283
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892918
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892838
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-3-carbothioamide
CID 64577343
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
1-[3-(fluoroamino)-2-pyridinyl]piperidin-4-ol
CID 89185599
2-bromo-4-(3-hydroxypyrrolidin-1-yl)benzenecarbothioamide
CID 107277757

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide (CID 62942859) is 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide is NC(=S)c1cccnc1N1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide?
The InChIKey is JDAGSCXLFJOTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-9(15)8-2-1-4-12-10(8)13-5-3-7(14)6-13/h1-2,4,7,14H,3,5-6H2,(H2,11,15).
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide?
2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide has a molecular weight of 223.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 62942859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).