8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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

C65H89F3N8O16S4 — CID 159062458

About 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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

8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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 (PubChem CID 159062458) has the molecular formula C65H89F3N8O16S4 and a molecular weight of 1423.73 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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.

Molecular Properties

• Compound Name: 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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
• PubChem CID: 159062458
• Molecular Formula: C65H89F3N8O16S4
• Molecular Weight: 1423.73 g/mol
• Exact Mass: 1422.52
• IUPAC Name: 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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
• 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(CC2CC2)CC3)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
• InChI: InChI=1S/C18H26N2O4S.C17H24N2O4S.C16H22N2O4S.C14H17F3N2O4S/c1-23-16-4-6-17(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;1-13(19)14-3-5-15(6-4-14)23(20,21)18-11-12-22-16(18)7-9-17(2)10-8-16;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/h4-7,15H,2-3,8-14H2,1H3;3-7H,1,8-14H2,2H3;3-6H,7-12H2,1-2H3;1-4,18H,5-10H2
• InChIKey: JYQGKWUOUNSTBX-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 252.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1423.73
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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?

The IUPAC name of 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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 (CID 159062458) is 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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.

What is the SMILES notation for 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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?

The canonical SMILES for 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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 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(CC2CC2)CC3)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2.

What is the InChIKey of 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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?

The InChIKey is JYQGKWUOUNSTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S.C17H24N2O4S.C16H22N2O4S.C14H17F3N2O4S/c1-23-16-4-6-17(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;1-13(19)14-3-5-15(6-4-14)23(20,21)18-11-12-22-16(18)7-9-17(2)10-8-16;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/h4-7,15H,2-3,8-14H2,1H3;3-7H,1,8-14H2,2H3;3-6H,7-12H2,1-2H3;1-4,18H,5-10H2.

What are the key properties of 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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?

8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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 has a molecular weight of 1423.73 g/mol, XLogP of 6.63, 16 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylmethyl)-4-(4-methoxyphenyl)sulfonyl-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 is sourced from PubChem (CID 159062458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).