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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone

C77H102F6N10O20S5 — CID 161432642

About 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone

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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone (PubChem CID 161432642) has the molecular formula C77H102F6N10O20S5 and a molecular weight of 1762.04 g/mol. Its IUPAC name is 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone
• PubChem CID: 161432642
• Molecular Formula: C77H102F6N10O20S5
• Molecular Weight: 1762.04 g/mol
• Exact Mass: 1760.58
• IUPAC Name: 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone
• SMILES: C=CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
• InChI: InChI=1S/C17H24N2O4S.C16H22N2O4S.C15H17F3N2O4S.C15H22N2O4S.C14H17F3N2O4S/c1-3-10-18-11-8-17(9-12-18)19(13-14-23-17)24(20,21)16-6-4-15(22-2)5-7-16;1-13(19)14-3-5-15(6-4-14)23(20,21)18-11-12-22-16(18)7-9-17(2)10-8-16;16-15(17,18)13(21)11-1-3-12(4-2-11)25(22,23)20-9-10-24-14(20)5-7-19-8-6-14;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/h3-7H,1,8-14H2,2H3;3-6H,7-12H2,1-2H3;1-4,19H,5-10H2;3-6H,7-12H2,1-2H3;1-4,18H,5-10H2
• InChIKey: VYFMMHWKWNFOIC-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 328.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.04
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

The IUPAC name of 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone (CID 161432642) is 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone.

What is the SMILES notation for 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

The canonical SMILES for 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone is C=CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.O=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2.

What is the InChIKey of 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

The InChIKey is VYFMMHWKWNFOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S.C16H22N2O4S.C15H17F3N2O4S.C15H22N2O4S.C14H17F3N2O4S/c1-3-10-18-11-8-17(9-12-18)19(13-14-23-17)24(20,21)16-6-4-15(22-2)5-7-16;1-13(19)14-3-5-15(6-4-14)23(20,21)18-11-12-22-16(18)7-9-17(2)10-8-16;16-15(17,18)13(21)11-1-3-12(4-2-11)25(22,23)20-9-10-24-14(20)5-7-19-8-6-14;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/h3-7H,1,8-14H2,2H3;3-6H,7-12H2,1-2H3;1-4,19H,5-10H2;3-6H,7-12H2,1-2H3;1-4,18H,5-10H2.

What are the key properties of 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?

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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone has a molecular weight of 1762.04 g/mol, XLogP of 7.38, 17 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone is sourced from PubChem (CID 161432642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).