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

C80H105F3N10O21S4 — CID 161333880

IUPACethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(=O)c1ccc(C(=O)N2CCOC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.CCOC(=O)CN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
InChIInChI=1S/C19H26N2O6S.C16H22N2O4S.C16H20N2O3.C15H20N2O4S.C14H17F3N2O4S/c1-3-26-18(23)14-20-10-8-19(9-11-20)21(12-13-27-19)28(24,25)17-6-4-16(5-7-17)15(2)22;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;1-12(19)13-2-4-14(5-3-13)15(20)18-10-11-21-16(18)6-8-17-9-7-16;1-12(18)13-2-4-14(5-3-13)22(19,20)17-10-11-21-15(17)6-8-16-9-7-15;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/h4-7H,3,8-14H2,1-2H3;3-6H,7-12H2,1-2H3;2-5,17H,6-11H2,1H3;2-5,16H,6-11H2,1H3;1-4,18H,5-10H2
InChIKeyVLTSVCFBIQEKQX-UHFFFAOYSA-N
MW1728.03 g/mol
LogP6.71
Rot. Bonds17

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

ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 161333880) has the molecular formula C80H105F3N10O21S4 and a molecular weight of 1728.03 g/mol. Its IUPAC name is ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Nameethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID161333880
Molecular FormulaC80H105F3N10O21S4
Molecular Weight1728.03 g/mol
Exact Mass1726.63
IUPAC Nameethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(=O)c1ccc(C(=O)N2CCOC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.CCOC(=O)CN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
InChIInChI=1S/C19H26N2O6S.C16H22N2O4S.C16H20N2O3.C15H20N2O4S.C14H17F3N2O4S/c1-3-26-18(23)14-20-10-8-19(9-11-20)21(12-13-27-19)28(24,25)17-6-4-16(5-7-17)15(2)22;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;1-12(19)13-2-4-14(5-3-13)15(20)18-10-11-21-16(18)6-8-17-9-7-16;1-12(18)13-2-4-14(5-3-13)22(19,20)17-10-11-21-15(17)6-8-16-9-7-15;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/h4-7H,3,8-14H2,1-2H3;3-6H,7-12H2,1-2H3;2-5,17H,6-11H2,1H3;2-5,16H,6-11H2,1H3;1-4,18H,5-10H2
InChIKeyVLTSVCFBIQEKQX-UHFFFAOYSA-N
XLogP6.71
TPSA362.36 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.03
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 161333880) is ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CC(=O)c1ccc(C(=O)N2CCOC23CCNCC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.CCOC(=O)CN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2.
What is the InChIKey of ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is VLTSVCFBIQEKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S.C16H22N2O4S.C16H20N2O3.C15H20N2O4S.C14H17F3N2O4S/c1-3-26-18(23)14-20-10-8-19(9-11-20)21(12-13-27-19)28(24,25)17-6-4-16(5-7-17)15(2)22;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;1-12(19)13-2-4-14(5-3-13)15(20)18-10-11-21-16(18)6-8-17-9-7-16;1-12(18)13-2-4-14(5-3-13)22(19,20)17-10-11-21-15(17)6-8-16-9-7-15;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/h4-7H,3,8-14H2,1-2H3;3-6H,7-12H2,1-2H3;2-5,17H,6-11H2,1H3;2-5,16H,6-11H2,1H3;1-4,18H,5-10H2.
What are the key properties of ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 1728.03 g/mol, XLogP of 6.71, 17 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]acetate;1-[4-[(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 161333880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).