1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone

C11H14N2O2S — CID 66261905

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncc1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O2S/c14-9-3-6-13(7-9)11(15)8-16-10-1-4-12-5-2-10/h1-2,4-5,9,14H,3,6-8H2/t9-/m1/s1
InChIKeyCSRXODMZDRNLAL-SECBINFHSA-N
MW238.31 g/mol
LogP0.77
Rot. Bonds3

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone (PubChem CID 66261905) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
PubChem CID66261905
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncc1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O2S/c14-9-3-6-13(7-9)11(15)8-16-10-1-4-12-5-2-10/h1-2,4-5,9,14H,3,6-8H2/t9-/m1/s1
InChIKeyCSRXODMZDRNLAL-SECBINFHSA-N
XLogP0.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 129367706
[(3R)-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 125161073
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 79029321
2-(3,4-difluorophenyl)sulfanyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029374
1-[(3S)-3-phenylpiperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 95207742
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70765532
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 78840834
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 70761712
2-pyridin-4-ylsulfanyl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154788
1-(3-anilinopiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 75384358

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone (CID 66261905) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone is O=C(CSc1ccncc1)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
The InChIKey is CSRXODMZDRNLAL-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-9-3-6-13(7-9)11(15)8-16-10-1-4-12-5-2-10/h1-2,4-5,9,14H,3,6-8H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone has a molecular weight of 238.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone is sourced from PubChem (CID 66261905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).