[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate

C88H119Cl6N7O30S5 — CID 161275341

IUPAC[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCC1CC2(CC(CO)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CCC1CC2(CC(COC(=O)N(C)C)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CCOC(=O)C1CC(=O)C=CN1S(=O)(=O)c1ccc(Cl)cc1.CCOC(=O)C1CC(=O)CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1.CCOC(=O)C1CC2(CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CN(C)C(=O)Cl.OCCO
InChIInChI=1S/C19H27ClN2O6S.C18H24ClNO6S.C16H22ClNO5S.C16H20ClNO5S.C14H14ClNO5S.C3H6ClNO.C2H6O2/c1-4-15-11-19(27-9-10-28-19)12-16(13-26-18(23)21(2)3)22(15)29(24,25)17-7-5-14(20)6-8-17;1-3-14-11-18(25-9-10-26-18)12-16(17(21)24-4-2)20(14)27(22,23)15-7-5-13(19)6-8-15;1-2-13-9-16(22-7-8-23-16)10-14(11-19)18(13)24(20,21)15-5-3-12(17)4-6-15;1-3-12-9-13(19)10-15(16(20)23-4-2)18(12)24(21,22)14-7-5-11(17)6-8-14;1-2-21-14(18)13-9-11(17)7-8-16(13)22(19,20)12-5-3-10(15)4-6-12;1-5(2)3(4)6;3-1-2-4/h5-8,15-16H,4,9-13H2,1-3H3;5-8,14,16H,3-4,9-12H2,1-2H3;3-6,13-14,19H,2,7-11H2,1H3;5-8,12,15H,3-4,9-10H2,1-2H3;3-8,13H,2,9H2,1H3;1-2H3;3-4H,1-2H2
InChIKeyVEJHADDCVCGBKB-UHFFFAOYSA-N
MW2127.99 g/mol
LogP11.33
Rot. Bonds24

About [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate

[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate (PubChem CID 161275341) has the molecular formula C88H119Cl6N7O30S5 and a molecular weight of 2127.99 g/mol. Its IUPAC name is [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Name[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
PubChem CID161275341
Molecular FormulaC88H119Cl6N7O30S5
Molecular Weight2127.99 g/mol
Exact Mass2123.47
IUPAC Name[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCC1CC2(CC(CO)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CCC1CC2(CC(COC(=O)N(C)C)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CCOC(=O)C1CC(=O)C=CN1S(=O)(=O)c1ccc(Cl)cc1.CCOC(=O)C1CC(=O)CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1.CCOC(=O)C1CC2(CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CN(C)C(=O)Cl.OCCO
InChIInChI=1S/C19H27ClN2O6S.C18H24ClNO6S.C16H22ClNO5S.C16H20ClNO5S.C14H14ClNO5S.C3H6ClNO.C2H6O2/c1-4-15-11-19(27-9-10-28-19)12-16(13-26-18(23)21(2)3)22(15)29(24,25)17-7-5-14(20)6-8-17;1-3-14-11-18(25-9-10-26-18)12-16(17(21)24-4-2)20(14)27(22,23)15-7-5-13(19)6-8-15;1-2-13-9-16(22-7-8-23-16)10-14(11-19)18(13)24(20,21)15-5-3-12(17)4-6-15;1-3-12-9-13(19)10-15(16(20)23-4-2)18(12)24(21,22)14-7-5-11(17)6-8-14;1-2-21-14(18)13-9-11(17)7-8-16(13)22(19,20)12-5-3-10(15)4-6-12;1-5(2)3(4)6;3-1-2-4/h5-8,15-16H,4,9-13H2,1-3H3;5-8,14,16H,3-4,9-12H2,1-2H3;3-6,13-14,19H,2,7-11H2,1H3;5-8,12,15H,3-4,9-10H2,1-2H3;3-8,13H,2,9H2,1H3;1-2H3;3-4H,1-2H2
InChIKeyVEJHADDCVCGBKB-UHFFFAOYSA-N
XLogP11.33
TPSA465.86 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.99
LogP ≤ 511.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate (CID 161275341) is [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate is CCC1CC2(CC(CO)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CCC1CC2(CC(COC(=O)N(C)C)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CCOC(=O)C1CC(=O)C=CN1S(=O)(=O)c1ccc(Cl)cc1.CCOC(=O)C1CC(=O)CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1.CCOC(=O)C1CC2(CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1)OCCO2.CN(C)C(=O)Cl.OCCO.
What is the InChIKey of [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The InChIKey is VEJHADDCVCGBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O6S.C18H24ClNO6S.C16H22ClNO5S.C16H20ClNO5S.C14H14ClNO5S.C3H6ClNO.C2H6O2/c1-4-15-11-19(27-9-10-28-19)12-16(13-26-18(23)21(2)3)22(15)29(24,25)17-7-5-14(20)6-8-17;1-3-14-11-18(25-9-10-26-18)12-16(17(21)24-4-2)20(14)27(22,23)15-7-5-13(19)6-8-15;1-2-13-9-16(22-7-8-23-16)10-14(11-19)18(13)24(20,21)15-5-3-12(17)4-6-15;1-3-12-9-13(19)10-15(16(20)23-4-2)18(12)24(21,22)14-7-5-11(17)6-8-14;1-2-21-14(18)13-9-11(17)7-8-16(13)22(19,20)12-5-3-10(15)4-6-12;1-5(2)3(4)6;3-1-2-4/h5-8,15-16H,4,9-13H2,1-3H3;5-8,14,16H,3-4,9-12H2,1-2H3;3-6,13-14,19H,2,7-11H2,1H3;5-8,12,15H,3-4,9-10H2,1-2H3;3-8,13H,2,9H2,1H3;1-2H3;3-4H,1-2H2.
What are the key properties of [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate has a molecular weight of 2127.99 g/mol, XLogP of 11.33, 24 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 161275341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).