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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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

C134H191N23O21S5 — CID 159571251

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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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 159571251) has the molecular formula C134H191N23O21S5 and a molecular weight of 2620.48 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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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 Name: 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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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: 159571251
• Molecular Formula: C134H191N23O21S5
• Molecular Weight: 2620.48 g/mol
• Exact Mass: 2618.32
• IUPAC Name: 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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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
• SMILES: CC(=O)c1ccc(S(=O)(=O)N2C(CC3=CCC=N3)C(=O)NC23CCN(C)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(CCCCN(C)C)COC23CCN(C)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=C1CN(Cc2ccccc2)C2(CCNCC2)N1.O=C1CNC2(CCNCC2)N1Cc1ccccc1.O=S=O
• InChI: InChI=1S/C22H35N3O4S.C21H26N4O4S.C18H28N2O4S.2C15H21N3O.C15H22N2O3S.2C14H19N3O.O2S/c1-18(26)19-8-10-21(11-9-19)30(27,28)25-20(7-5-6-14-23(2)3)17-29-22(25)12-15-24(4)16-13-22;1-15(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;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;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;18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12;18-13-11-17(10-12-4-2-1-3-5-12)14(16-13)6-8-15-9-7-14;1-3-2/h8-11,20H,5-7,12-17H2,1-4H3;4-8,11,19H,3,9-10,12-14H2,1-2H3,(H,23,27);5-8H,3-4,9-15H2,1-2H3;2-6,16H,7-12H2,1H3;2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;1-5,15-16H,6-11H2;1-5,15H,6-11H2,(H,16,18)
• InChIKey: MHVRWEGNNUAGIW-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 472.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2620.48
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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 159571251) 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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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)N2C(CCCCN(C)C)COC23CCN(C)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=C1CN(Cc2ccccc2)C2(CCNCC2)N1.O=C1CNC2(CCNCC2)N1Cc1ccccc1.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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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 MHVRWEGNNUAGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S.C21H26N4O4S.C18H28N2O4S.2C15H21N3O.C15H22N2O3S.2C14H19N3O.O2S/c1-18(26)19-8-10-21(11-9-19)30(27,28)25-20(7-5-6-14-23(2)3)17-29-22(25)12-15-24(4)16-13-22;1-15(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;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;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;18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12;18-13-11-17(10-12-4-2-1-3-5-12)14(16-13)6-8-15-9-7-14;1-3-2/h8-11,20H,5-7,12-17H2,1-4H3;4-8,11,19H,3,9-10,12-14H2,1-2H3,(H,23,27);5-8H,3-4,9-15H2,1-2H3;2-6,16H,7-12H2,1H3;2-6H,7-12H2,1H3,(H,16,19);3-6H,7-12H2,1-2H3;1-5,15-16H,6-11H2;1-5,15H,6-11H2,(H,16,18);.

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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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 2620.48 g/mol, XLogP of 10.53, 29 rotatable bonds, 7 hydrogen bond donors, and 35 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;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-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 159571251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).