1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one

C15H17NO2S2 — CID 82516545

IUPAC1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one
SMILESO=c1c(CS)ccc(-c2cccs2)n1CC1CCCO1
InChIInChI=1S/C15H17NO2S2/c17-15-11(10-19)5-6-13(14-4-2-8-20-14)16(15)9-12-3-1-7-18-12/h2,4-6,8,12,19H,1,3,7,9-10H2
InChIKeyJGTBOFMENLKDQC-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.19
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one

1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one (PubChem CID 82516545) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one
PubChem CID82516545
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one
SMILESO=c1c(CS)ccc(-c2cccs2)n1CC1CCCO1
InChIInChI=1S/C15H17NO2S2/c17-15-11(10-19)5-6-13(14-4-2-8-20-14)16(15)9-12-3-1-7-18-12/h2,4-6,8,12,19H,1,3,7,9-10H2
InChIKeyJGTBOFMENLKDQC-UHFFFAOYSA-N
XLogP3.19
TPSA31.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23875611
3-(1,3-benzodioxol-5-ylamino)-1-(oxolan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552629
2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16537525
6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82524714
methyl 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 3950973
1-(oxan-2-ylmethyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 102645256
1-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090240
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one
CID 82516614
2-(morpholin-4-ium-4-ylmethyl)-4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione
CID 8019617
4-[[(2R)-oxolan-2-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione
CID 2480344

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one (CID 82516545) is 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one is O=c1c(CS)ccc(-c2cccs2)n1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one?
The InChIKey is JGTBOFMENLKDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-15-11(10-19)5-6-13(14-4-2-8-20-14)16(15)9-12-3-1-7-18-12/h2,4-6,8,12,19H,1,3,7,9-10H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one?
1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one has a molecular weight of 307.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 82516545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).