4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone

C119H173N17O28S7 — CID 158273602

About 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone

4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone (PubChem CID 158273602) has the molecular formula C119H173N17O28S7 and a molecular weight of 2514.25 g/mol. Its IUPAC name is 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
• PubChem CID: 158273602
• Molecular Formula: C119H173N17O28S7
• Molecular Weight: 2514.25 g/mol
• Exact Mass: 2512.07
• IUPAC Name: 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(S(=O)(=O)N2C(CCCCN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(CN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(=O)NC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1
• InChI: InChI=1S/C21H33N3O4S.C18H27N3O4S.C18H26N2O4S.C16H22N2O4S.C16H24N2O4S.C15H19N3O4S.C15H22N2O4S/c1-17(25)18-7-9-20(10-8-18)29(26,27)24-19(6-4-5-15-23(2)3)16-28-21(24)11-13-22-14-12-21;1-14(22)15-4-6-17(7-5-15)26(23,24)21-16(12-20(2)3)13-25-18(21)8-10-19-11-9-18;1-23-16-4-6-17(7-5-16)25(21,22)20-12-13-24-18(20)8-10-19(11-9-18)14-15-2-3-15;1-13(19)14-3-5-15(6-4-14)23(20,21)18-11-12-22-16(18)7-9-17(2)10-8-16;1-3-17-10-8-16(9-11-17)18(12-13-22-16)23(19,20)15-6-4-14(21-2)5-7-15;1-11(19)12-2-4-13(5-3-12)23(21,22)18-10-14(20)17-15(18)6-8-16-9-7-15;1-16-9-7-15(8-10-16)17(11-12-21-15)22(18,19)14-5-3-13(20-2)4-6-14/h7-10,19,22H,4-6,11-16H2,1-3H3;4-7,16,19H,8-13H2,1-3H3;4-7,15H,2-3,8-14H2,1H3;3-6H,7-12H2,1-2H3;4-7H,3,8-13H2,1-2H3;2-5,16H,6-10H2,1H3,(H,17,20);3-6H,7-12H2,1-2H3
• InChIKey: GJILGJGDNRHTPV-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 497.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2514.25
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

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-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

The IUPAC name of 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone (CID 158273602) is 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone.

What is the SMILES notation for 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

The canonical SMILES for 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2C(CCCCN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(CN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(=O)NC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.

What is the InChIKey of 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

The InChIKey is GJILGJGDNRHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S.C18H27N3O4S.C18H26N2O4S.C16H22N2O4S.C16H24N2O4S.C15H19N3O4S.C15H22N2O4S/c1-17(25)18-7-9-20(10-8-18)29(26,27)24-19(6-4-5-15-23(2)3)16-28-21(24)11-13-22-14-12-21;1-14(22)15-4-6-17(7-5-15)26(23,24)21-16(12-20(2)3)13-25-18(21)8-10-19-11-9-18;1-23-16-4-6-17(7-5-16)25(21,22)20-12-13-24-18(20)8-10-19(11-9-18)14-15-2-3-15;1-13(19)14-3-5-15(6-4-14)23(20,21)18-11-12-22-16(18)7-9-17(2)10-8-16;1-3-17-10-8-16(9-11-17)18(12-13-22-16)23(19,20)15-6-4-14(21-2)5-7-15;1-11(19)12-2-4-13(5-3-12)23(21,22)18-10-14(20)17-15(18)6-8-16-9-7-15;1-16-9-7-15(8-10-16)17(11-12-21-15)22(18,19)14-5-3-13(20-2)4-6-14/h7-10,19,22H,4-6,11-16H2,1-3H3;4-7,16,19H,8-13H2,1-3H3;4-7,15H,2-3,8-14H2,1H3;3-6H,7-12H2,1-2H3;4-7H,3,8-13H2,1-2H3;2-5,16H,6-10H2,1H3,(H,17,20);3-6H,7-12H2,1-2H3.

What are the key properties of 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone has a molecular weight of 2514.25 g/mol, XLogP of 9.02, 31 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;8-ethyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone is sourced from PubChem (CID 158273602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).