[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate

C18H21NO7S — CID 7891737

IUPAC[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@H]3CCOC3=O)CC2)c1
InChIInChI=1S/C18H21NO7S/c1-12(20)14-3-2-4-15(11-14)27(23,24)19-8-5-13(6-9-19)17(21)26-16-7-10-25-18(16)22/h2-4,11,13,16H,5-10H2,1H3/t16-/m0/s1
InChIKeyDYXLDGBZOKSYPI-INIZCTEOSA-N
MW395.43 g/mol
LogP1.15
Rot. Bonds5

About [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate

[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 7891737) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID7891737
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Name[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@H]3CCOC3=O)CC2)c1
InChIInChI=1S/C18H21NO7S/c1-12(20)14-3-2-4-15(11-14)27(23,24)19-8-5-13(6-9-19)17(21)26-16-7-10-25-18(16)22/h2-4,11,13,16H,5-10H2,1H3/t16-/m0/s1
InChIKeyDYXLDGBZOKSYPI-INIZCTEOSA-N
XLogP1.15
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2509169
(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 4794362
[(3R)-2-oxooxolan-3-yl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 9115979
(2-oxooxolan-3-yl) 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24979855
[(3S)-2-oxooxolan-3-yl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 7229435
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 8635643
3-(2-oxooxolan-3-yl)oxycarbonylbenzenesulfonic acid
CID 90246272
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 9487220
methyl 1-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561235
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 31304364
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate (CID 7891737) is [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@H]3CCOC3=O)CC2)c1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is DYXLDGBZOKSYPI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-12(20)14-3-2-4-15(11-14)27(23,24)19-8-5-13(6-9-19)17(21)26-16-7-10-25-18(16)22/h2-4,11,13,16H,5-10H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 395.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 7891737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).