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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C113H159F3N16O28S7 — CID 159641536

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 159641536) has the molecular formula C113H159F3N16O28S7 and a molecular weight of 2471.06 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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
• PubChem CID: 159641536
• Molecular Formula: C113H159F3N16O28S7
• Molecular Weight: 2471.06 g/mol
• Exact Mass: 2468.95
• 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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
• SMILES: C=CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(CN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(=O)NC23CCNCC3)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.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
• InChI: InChI=1S/C18H27N3O4S.C18H26N2O4S.C17H24N2O4S.C16H24N2O4S.C15H19N3O4S.C15H22N2O4S.C14H17F3N2O4S/c1-14(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;1-3-10-18-11-8-17(9-12-18)19(13-14-23-17)24(20,21)16-6-4-15(22-2)5-7-16;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;15-14(16,17)23-11-1-3-12(4-2-11)24(20,21)19-9-10-22-13(19)5-7-18-8-6-13/h4-7,16,19H,8-13H2,1-3H3;4-7,15H,2-3,8-14H2,1H3;3-7H,1,8-14H2,2H3;4-7H,3,8-13H2,1-2H3;2-5,16H,6-10H2,1H3,(H,17,20);3-6H,7-12H2,1-2H3;1-4,18H,5-10H2
• InChIKey: MQKLGKSXSVTZMQ-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 478.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.06
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', '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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 159641536) 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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is C=CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CC(=O)c1ccc(S(=O)(=O)N2C(CN(C)C)COC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(=O)NC23CCNCC3)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.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2.

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?

The InChIKey is MQKLGKSXSVTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.C18H26N2O4S.C17H24N2O4S.C16H24N2O4S.C15H19N3O4S.C15H22N2O4S.C14H17F3N2O4S/c1-14(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;1-3-10-18-11-8-17(9-12-18)19(13-14-23-17)24(20,21)16-6-4-15(22-2)5-7-16;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;15-14(16,17)23-11-1-3-12(4-2-11)24(20,21)19-9-10-22-13(19)5-7-18-8-6-13/h4-7,16,19H,8-13H2,1-3H3;4-7,15H,2-3,8-14H2,1H3;3-7H,1,8-14H2,2H3;4-7H,3,8-13H2,1-2H3;2-5,16H,6-10H2,1H3,(H,17,20);3-6H,7-12H2,1-2H3;1-4,18H,5-10H2.

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?

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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 2471.06 g/mol, XLogP of 8.97, 28 rotatable bonds, 4 hydrogen bond donors, and 36 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-[(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;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 159641536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).