oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C13H18N2O4S2 — CID 2970302

IUPACoxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O4S2/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h2,4,10-11H,1,3,5-9H2
InChIKeyUDCLYSMALZZYNJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.76
Rot. Bonds3

About oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2970302) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2970302
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Nameoxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O4S2/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h2,4,10-11H,1,3,5-9H2
InChIKeyUDCLYSMALZZYNJ-UHFFFAOYSA-N
XLogP0.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9496421
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 2815642
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51983158
(1R,6S)-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 27521047
6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 17377444
N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
CID 55330191
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2970302) is oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is UDCLYSMALZZYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h2,4,10-11H,1,3,5-9H2.
What are the key properties of oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2970302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).