3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one

C12H15ClN2O4S2 — CID 45352473

IUPAC3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H15ClN2O4S2/c13-10-1-2-11(20-10)21(17,18)15-6-4-14(5-7-15)9-3-8-19-12(9)16/h1-2,9H,3-8H2
InChIKeyAYMANLCQCFWMQF-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.02
Rot. Bonds3

About 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one

3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one (PubChem CID 45352473) has the molecular formula C12H15ClN2O4S2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one
PubChem CID45352473
Molecular FormulaC12H15ClN2O4S2
Molecular Weight350.85 g/mol
Exact Mass350.02
IUPAC Name3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H15ClN2O4S2/c13-10-1-2-11(20-10)21(17,18)15-6-4-14(5-7-15)9-3-8-19-12(9)16/h1-2,9H,3-8H2
InChIKeyAYMANLCQCFWMQF-UHFFFAOYSA-N
XLogP1.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[4-(benzenesulfonyl)piperazin-1-yl]oxolan-2-one
CID 27454278
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3458659
N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide
CID 158905112
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110400097
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one (CID 45352473) is 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one is O=C1OCCC1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
The InChIKey is AYMANLCQCFWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S2/c13-10-1-2-11(20-10)21(17,18)15-6-4-14(5-7-15)9-3-8-19-12(9)16/h1-2,9H,3-8H2.
What are the key properties of 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one has a molecular weight of 350.85 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 45352473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).