4-pyridin-2-ylsulfanylpyrrolidin-3-ol

C9H12N2OS — CID 63703170

IUPAC4-pyridin-2-ylsulfanylpyrrolidin-3-ol
SMILESOC1CNCC1Sc1ccccn1
InChIInChI=1S/C9H12N2OS/c12-7-5-10-6-8(7)13-9-3-1-2-4-11-9/h1-4,7-8,10,12H,5-6H2
InChIKeyXLFQSSLZDMDCEL-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.51
Rot. Bonds2

About 4-pyridin-2-ylsulfanylpyrrolidin-3-ol

4-pyridin-2-ylsulfanylpyrrolidin-3-ol (PubChem CID 63703170) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 4-pyridin-2-ylsulfanylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-pyridin-2-ylsulfanylpyrrolidin-3-ol
PubChem CID63703170
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name4-pyridin-2-ylsulfanylpyrrolidin-3-ol
SMILESOC1CNCC1Sc1ccccn1
InChIInChI=1S/C9H12N2OS/c12-7-5-10-6-8(7)13-9-3-1-2-4-11-9/h1-4,7-8,10,12H,5-6H2
InChIKeyXLFQSSLZDMDCEL-UHFFFAOYSA-N
XLogP0.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-ylsulfanylcyclohexan-1-ol
CID 13434052
4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol
CID 63701610
2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine
CID 10998160
2-[(4Z)-8-chlorocyclooct-4-en-1-yl]sulfanylpyridine
CID 155292873
2-hydroxysulfanylpyridine
CID 12046445
4-methyl-3-pyridin-2-ylsulfanylcyclohexan-1-one
CID 165497200
(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol
CID 168894711
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
3-pyridin-2-ylsulfanyl-2,3,4,5,6,7-hexahydroinden-1-one
CID 10966784
4-methylsulfanylpyrrolidin-3-ol
CID 54350545

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylsulfanylpyrrolidin-3-ol?
The IUPAC name of 4-pyridin-2-ylsulfanylpyrrolidin-3-ol (CID 63703170) is 4-pyridin-2-ylsulfanylpyrrolidin-3-ol.
What is the SMILES notation for 4-pyridin-2-ylsulfanylpyrrolidin-3-ol?
The canonical SMILES for 4-pyridin-2-ylsulfanylpyrrolidin-3-ol is OC1CNCC1Sc1ccccn1.
What is the InChIKey of 4-pyridin-2-ylsulfanylpyrrolidin-3-ol?
The InChIKey is XLFQSSLZDMDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-7-5-10-6-8(7)13-9-3-1-2-4-11-9/h1-4,7-8,10,12H,5-6H2.
What are the key properties of 4-pyridin-2-ylsulfanylpyrrolidin-3-ol?
4-pyridin-2-ylsulfanylpyrrolidin-3-ol has a molecular weight of 196.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylsulfanylpyrrolidin-3-ol is sourced from PubChem (CID 63703170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).