4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide

C88H123F3N14O18S5 — CID 162031302

IUPAC4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide
SMILESCC(=O)c1ccc(S(=O)(=O)N2C(CC3=CCC=N3)C(=O)NC23CCN(C)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)OC23CCN(C)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC(F)(F)F)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=S=O
InChIInChI=1S/C21H26N4O4S.C19H29N3O4S.C18H25F3N2O4S.C15H21N3O.C15H22N2O3S.O2S/c1-15(26)16-5-7-18(8-6-16)30(28,29)25-19(14-17-4-3-11-22-17)20(27)23-21(25)9-12-24(2)13-10-21;1-15(23)16-5-7-18(8-6-16)27(24,25)22-14-17(13-20(2)3)26-19(22)9-11-21(4)12-10-19;1-2-3-10-22-11-8-17(9-12-22)23(13-14-26-17)28(24,25)16-6-4-15(5-7-16)27-18(19,20)21;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/h4-8,11,19H,3,9-10,12-14H2,1-2H3,(H,23,27);5-8,17H,9-14H2,1-4H3;4-7H,2-3,8-14H2,1H3;2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;
InChIKeyYWBBTGQFPAVLLZ-UHFFFAOYSA-N
MW1882.36 g/mol
LogP7.82
Rot. Bonds20

About 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide

4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide (PubChem CID 162031302) has the molecular formula C88H123F3N14O18S5 and a molecular weight of 1882.36 g/mol. Its IUPAC name is 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide.

Molecular Properties

Compound Name4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide
PubChem CID162031302
Molecular FormulaC88H123F3N14O18S5
Molecular Weight1882.36 g/mol
Exact Mass1880.77
IUPAC Name4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide
SMILESCC(=O)c1ccc(S(=O)(=O)N2C(CC3=CCC=N3)C(=O)NC23CCN(C)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)OC23CCN(C)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC(F)(F)F)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=S=O
InChIInChI=1S/C21H26N4O4S.C19H29N3O4S.C18H25F3N2O4S.C15H21N3O.C15H22N2O3S.O2S/c1-15(26)16-5-7-18(8-6-16)30(28,29)25-19(14-17-4-3-11-22-17)20(27)23-21(25)9-12-24(2)13-10-21;1-15(23)16-5-7-18(8-6-16)27(24,25)22-14-17(13-20(2)3)26-19(22)9-11-21(4)12-10-19;1-2-3-10-22-11-8-17(9-12-22)23(13-14-26-17)28(24,25)16-6-4-15(5-7-16)27-18(19,20)21;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/h4-8,11,19H,3,9-10,12-14H2,1-2H3,(H,23,27);5-8,17H,9-14H2,1-4H3;4-7H,2-3,8-14H2,1H3;2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;
InChIKeyYWBBTGQFPAVLLZ-UHFFFAOYSA-N
XLogP7.82
TPSA347.96 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001882.36
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
The IUPAC name of 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide (CID 162031302) is 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide.
What is the SMILES notation for 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
The canonical SMILES for 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide is CC(=O)c1ccc(S(=O)(=O)N2C(CC3=CCC=N3)C(=O)NC23CCN(C)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)OC23CCN(C)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC(F)(F)F)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=S=O.
What is the InChIKey of 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
The InChIKey is YWBBTGQFPAVLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S.C19H29N3O4S.C18H25F3N2O4S.C15H21N3O.C15H22N2O3S.O2S/c1-15(26)16-5-7-18(8-6-16)30(28,29)25-19(14-17-4-3-11-22-17)20(27)23-21(25)9-12-24(2)13-10-21;1-15(23)16-5-7-18(8-6-16)27(24,25)22-14-17(13-20(2)3)26-19(22)9-11-21(4)12-10-19;1-2-3-10-22-11-8-17(9-12-22)23(13-14-26-17)28(24,25)16-6-4-15(5-7-16)27-18(19,20)21;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/h4-8,11,19H,3,9-10,12-14H2,1-2H3,(H,23,27);5-8,17H,9-14H2,1-4H3;4-7H,2-3,8-14H2,1H3;2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;.
What are the key properties of 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide?
4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide has a molecular weight of 1882.36 g/mol, XLogP of 7.82, 20 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)sulfonyl-8-methyl-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;8-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[2-[(dimethylamino)methyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;sulfur dioxide is sourced from PubChem (CID 162031302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).