oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

C18H25NO6S — CID 24557079

IUPACoxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H25NO6S/c1-23-15-4-6-17(7-5-15)26(21,22)19-10-8-14(9-11-19)18(20)25-13-16-3-2-12-24-16/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyLTEYAAPKWXAHCS-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.82
Rot. Bonds6

About oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24557079) has the molecular formula C18H25NO6S and a molecular weight of 383.47 g/mol. Its IUPAC name is oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24557079
Molecular FormulaC18H25NO6S
Molecular Weight383.47 g/mol
Exact Mass383.14
IUPAC Nameoxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H25NO6S/c1-23-15-4-6-17(7-5-15)26(21,22)19-10-8-14(9-11-19)18(20)25-13-16-3-2-12-24-16/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyLTEYAAPKWXAHCS-UHFFFAOYSA-N
XLogP1.82
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(oxolan-2-ylmethyl)urea
CID 45106429
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 3396448
1-(4-methoxyphenyl)sulfonyl-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-4-carboxamide
CID 100656018
[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55730923
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049313
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
2-(4-methoxyphenyl)ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42979943

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 24557079) is oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC3CCCO3)CC2)cc1.
What is the InChIKey of oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is LTEYAAPKWXAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6S/c1-23-15-4-6-17(7-5-15)26(21,22)19-10-8-14(9-11-19)18(20)25-13-16-3-2-12-24-16/h4-7,14,16H,2-3,8-13H2,1H3.
What are the key properties of oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24557079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).