8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)

C102H147F3N12O25S8 — CID 160640684

About 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)

8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide) (PubChem CID 160640684) has the molecular formula C102H147F3N12O25S8 and a molecular weight of 2254.89 g/mol. Its IUPAC name is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide).

Molecular Properties

• Compound Name: 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)
• PubChem CID: 160640684
• Molecular Formula: C102H147F3N12O25S8
• Molecular Weight: 2254.89 g/mol
• Exact Mass: 2252.83
• IUPAC Name: 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)
• SMILES: C=CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCN(CC1CC1)CC2.O=S=O.O=S=O
• InChI: InChI=1S/C18H23F3N2O4S.C18H28N2O4S.C18H26N2O3S.C17H26N2O4S.C17H24N2O3S.C14H20N2O3S.2O2S/c19-18(20,21)27-15-3-5-16(6-4-15)28(24,25)23-11-12-26-17(23)7-9-22(10-8-17)13-14-1-2-14;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;1-15-2-6-17(7-3-15)24(21,22)20-12-13-23-18(20)8-10-19(11-9-18)14-16-4-5-16;1-14(2)18-10-8-17(9-11-18)19(12-13-23-17)24(20,21)16-6-4-15(22-3)5-7-16;1-3-10-18-11-8-17(9-12-18)19(13-14-22-17)23(20,21)16-6-4-15(2)5-7-16;1-12-2-4-13(5-3-12)20(17,18)16-10-11-19-14(16)6-8-15-9-7-14;2*1-3-2/h3-6,14H,1-2,7-13H2;5-8H,3-4,9-15H2,1-2H3;2-3,6-7,16H,4-5,8-14H2,1H3;4-7,14H,8-13H2,1-3H3;3-7H,1,8-14H2,2H3;2-5,15H,6-11H2,1H3
• InChIKey: RJDASXZSSWWWPD-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 403.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.89
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)?

The IUPAC name of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide) (CID 160640684) is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide).

What is the SMILES notation for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)?

The canonical SMILES for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide) is C=CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCN(CC1CC1)CC2.O=S=O.O=S=O.

What is the InChIKey of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)?

The InChIKey is RJDASXZSSWWWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4S.C18H28N2O4S.C18H26N2O3S.C17H26N2O4S.C17H24N2O3S.C14H20N2O3S.2O2S/c19-18(20,21)27-15-3-5-16(6-4-15)28(24,25)23-11-12-26-17(23)7-9-22(10-8-17)13-14-1-2-14;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;1-15-2-6-17(7-3-15)24(21,22)20-12-13-23-18(20)8-10-19(11-9-18)14-16-4-5-16;1-14(2)18-10-8-17(9-11-18)19(12-13-23-17)24(20,21)16-6-4-15(22-3)5-7-16;1-3-10-18-11-8-17(9-12-18)19(13-14-22-17)23(20,21)16-6-4-15(2)5-7-16;1-12-2-4-13(5-3-12)20(17,18)16-10-11-19-14(16)6-8-15-9-7-14;2*1-3-2/h3-6,14H,1-2,7-13H2;5-8H,3-4,9-15H2,1-2H3;2-3,6-7,16H,4-5,8-14H2,1H3;4-7,14H,8-13H2,1-3H3;3-7H,1,8-14H2,2H3;2-5,15H,6-11H2,1H3;;.

What are the key properties of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide)?

8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide) has a molecular weight of 2254.89 g/mol, XLogP of 11.00, 25 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;bis(sulfur dioxide) is sourced from PubChem (CID 160640684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).