1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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

C83H113F3N10O20S5 — CID 159845356

About 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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

1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 159845356) has the molecular formula C83H113F3N10O20S5 and a molecular weight of 1788.20 g/mol. Its IUPAC name is 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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: 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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: 159845356
• Molecular Formula: C83H113F3N10O20S5
• Molecular Weight: 1788.20 g/mol
• Exact Mass: 1786.67
• IUPAC Name: 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
• InChI: InChI=1S/C19H26N2O4S.2C17H24N2O4S.C16H22N2O4S.C14H17F3N2O4S/c1-15(22)17-4-6-18(7-5-17)26(23,24)21-12-13-25-19(21)8-10-20(11-9-19)14-16-2-3-16;1-3-18-10-8-17(9-11-18)19(12-13-23-17)24(21,22)16-6-4-15(5-7-16)14(2)20;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/h4-7,16H,2-3,8-14H2,1H3;4-7H,3,8-13H2,1-2H3;3-7H,1,8-14H2,2H3;3-6H,7-12H2,1-2H3;1-4,18H,5-10H2
• InChIKey: NPFNEPUIXQJSRD-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 327.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.20
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	1
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 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 159845356) is 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2.

What is the InChIKey of 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 NPFNEPUIXQJSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S.2C17H24N2O4S.C16H22N2O4S.C14H17F3N2O4S/c1-15(22)17-4-6-18(7-5-17)26(23,24)21-12-13-25-19(21)8-10-20(11-9-19)14-16-2-3-16;1-3-18-10-8-17(9-11-18)19(12-13-23-17)24(21,22)16-6-4-15(5-7-16)14(2)20;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/h4-7,16H,2-3,8-14H2,1H3;4-7H,3,8-13H2,1-2H3;3-7H,1,8-14H2,2H3;3-6H,7-12H2,1-2H3;1-4,18H,5-10H2.

What are the key properties of 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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?

1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 1788.20 g/mol, XLogP of 8.55, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;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 159845356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).