pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone

C14H18N2O2S — CID 91625365

IUPACpyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(OC2CCSC2)nc1)N1CCCC1
InChIInChI=1S/C14H18N2O2S/c17-14(16-6-1-2-7-16)11-3-4-13(15-9-11)18-12-5-8-19-10-12/h3-4,9,12H,1-2,5-8,10H2
InChIKeyUETYHCKQIFYBHK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.20
Rot. Bonds3

About pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone

pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone (PubChem CID 91625365) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
PubChem CID91625365
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Namepyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(OC2CCSC2)nc1)N1CCCC1
InChIInChI=1S/C14H18N2O2S/c17-14(16-6-1-2-7-16)11-3-4-13(15-9-11)18-12-5-8-19-10-12/h3-4,9,12H,1-2,5-8,10H2
InChIKeyUETYHCKQIFYBHK-UHFFFAOYSA-N
XLogP2.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 117054396
N-cyclopentyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625371
N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815546
morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone
CID 100733701
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343117
N-(1-hydroxy-2-methylpropan-2-yl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731769
N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625368
N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731809
N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731893
(6-cyclopentyloxy-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346738
tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733186
tert-butyl N-[2-[[6-[(3S)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733178

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone (CID 91625365) is pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone is O=C(c1ccc(OC2CCSC2)nc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone?
The InChIKey is UETYHCKQIFYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-14(16-6-1-2-7-16)11-3-4-13(15-9-11)18-12-5-8-19-10-12/h3-4,9,12H,1-2,5-8,10H2.
What are the key properties of pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone?
pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone has a molecular weight of 278.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone is sourced from PubChem (CID 91625365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).