2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide

C103H147N13O26S6 — CID 158780524

IUPAC2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC(=O)O)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CCOC(=O)CN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=S=O
InChIInChI=1S/C19H26N2O6S.C19H28N2O4S.C18H28N2O4S.C17H22N2O6S.C15H21N3O.C15H22N2O3S.O2S/c1-3-26-18(23)14-20-10-8-19(9-11-20)21(12-13-27-19)28(24,25)17-6-4-16(5-7-17)15(2)22;1-3-4-11-20-12-9-19(10-13-20)21(14-15-25-19)26(23,24)18-7-5-17(6-8-18)16(2)22;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;1-13(20)14-2-4-15(5-3-14)26(23,24)19-10-11-25-17(19)6-8-18(9-7-17)12-16(21)22;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13;1-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16(2)10-8-15;1-3-2/h4-7H,3,8-14H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;2-5H,6-12H2,1H3,(H,21,22);2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;
InChIKeyIRAFLEUBGIMGFP-UHFFFAOYSA-N
MW2175.78 g/mol
LogP8.67
Rot. Bonds27

About 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide

2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide (PubChem CID 158780524) has the molecular formula C103H147N13O26S6 and a molecular weight of 2175.78 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide
PubChem CID158780524
Molecular FormulaC103H147N13O26S6
Molecular Weight2175.78 g/mol
Exact Mass2173.89
IUPAC Name2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC(=O)O)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CCOC(=O)CN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=S=O
InChIInChI=1S/C19H26N2O6S.C19H28N2O4S.C18H28N2O4S.C17H22N2O6S.C15H21N3O.C15H22N2O3S.O2S/c1-3-26-18(23)14-20-10-8-19(9-11-20)21(12-13-27-19)28(24,25)17-6-4-16(5-7-17)15(2)22;1-3-4-11-20-12-9-19(10-13-20)21(14-15-25-19)26(23,24)18-7-5-17(6-8-18)16(2)22;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;1-13(20)14-2-4-15(5-3-14)26(23,24)19-10-11-25-17(19)6-8-18(9-7-17)12-16(21)22;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13;1-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16(2)10-8-15;1-3-2/h4-7H,3,8-14H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;2-5H,6-12H2,1H3,(H,21,22);2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;
InChIKeyIRAFLEUBGIMGFP-UHFFFAOYSA-N
XLogP8.67
TPSA443.01 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.78
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
The IUPAC name of 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide (CID 158780524) is 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
The canonical SMILES for 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide is CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC(=O)O)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CCOC(=O)CN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=S=O.
What is the InChIKey of 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
The InChIKey is IRAFLEUBGIMGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S.C19H28N2O4S.C18H28N2O4S.C17H22N2O6S.C15H21N3O.C15H22N2O3S.O2S/c1-3-26-18(23)14-20-10-8-19(9-11-20)21(12-13-27-19)28(24,25)17-6-4-16(5-7-17)15(2)22;1-3-4-11-20-12-9-19(10-13-20)21(14-15-25-19)26(23,24)18-7-5-17(6-8-18)16(2)22;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;1-13(20)14-2-4-15(5-3-14)26(23,24)19-10-11-25-17(19)6-8-18(9-7-17)12-16(21)22;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13;1-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16(2)10-8-15;1-3-2/h4-7H,3,8-14H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;2-5H,6-12H2,1H3,(H,21,22);2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;.
What are the key properties of 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide has a molecular weight of 2175.78 g/mol, XLogP of 8.67, 27 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetic acid;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide is sourced from PubChem (CID 158780524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).