4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C16H20N2O5S2 — CID 90589443

IUPAC4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H20N2O5S2/c1-12-16(13(2)23-17-12)25(21,22)18-10-8-15(9-11-18)24(19,20)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyLMBFQRKCFOBSMU-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.92
Rot. Bonds4

About 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 90589443) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID90589443
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC Name4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H20N2O5S2/c1-12-16(13(2)23-17-12)25(21,22)18-10-8-15(9-11-18)24(19,20)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyLMBFQRKCFOBSMU-UHFFFAOYSA-N
XLogP1.92
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanone
CID 22109863
3,5-dimethyl-4-[4-(1-methylindol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 113088010
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 24685775
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 90589443) is 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is LMBFQRKCFOBSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-12-16(13(2)23-17-12)25(21,22)18-10-8-15(9-11-18)24(19,20)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3.
What are the key properties of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 384.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90589443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).