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

C18H26N2O4S — CID 55472900

IUPAC5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C3CC(C)OC3=O)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-3-4-15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)17-13-14(2)24-18(17)21/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyJWADWMOJJCOTBW-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.65
Rot. Bonds5

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

5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one (PubChem CID 55472900) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one
PubChem CID55472900
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C3CC(C)OC3=O)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-3-4-15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)17-13-14(2)24-18(17)21/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyJWADWMOJJCOTBW-UHFFFAOYSA-N
XLogP1.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-[(3R)-oxolan-3-yl]-4-(4-propylphenyl)sulfonylpiperazine
CID 97098948
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
(3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one
CID 95345058
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
3-bromo-1-(4-propylphenyl)sulfonylpiperidine
CID 80676471
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119686738
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one?
The IUPAC name of 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one (CID 55472900) is 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one?
The canonical SMILES for 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one is CCCc1ccc(S(=O)(=O)N2CCN(C3CC(C)OC3=O)CC2)cc1.
What is the InChIKey of 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one?
The InChIKey is JWADWMOJJCOTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-4-15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)17-13-14(2)24-18(17)21/h5-8,14,17H,3-4,9-13H2,1-2H3.
What are the key properties of 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one?
5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one has a molecular weight of 366.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 55472900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).