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;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

C81H106F6N10O20S5 — CID 158744687

IUPAC1-[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;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
SMILESCC(=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=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
InChIInChI=1S/C19H26N2O4S.C17H24N2O4S.C16H22N2O4S.C15H17F3N2O4S.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;1-13(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;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;3-6H,7-12H2,1-2H3;1-4,19H,5-10H2;1-4,18H,5-10H2
InChIKeyIMSUPHSUDGSZMY-UHFFFAOYSA-N
MW1814.11 g/mol
LogP8.38
Rot. Bonds18

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;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

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;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 158744687) has the molecular formula C81H106F6N10O20S5 and a molecular weight of 1814.11 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;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 Name1-[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;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 CID158744687
Molecular FormulaC81H106F6N10O20S5
Molecular Weight1814.11 g/mol
Exact Mass1812.61
IUPAC Name1-[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;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
SMILESCC(=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=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCNCC2
InChIInChI=1S/C19H26N2O4S.C17H24N2O4S.C16H22N2O4S.C15H17F3N2O4S.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;1-13(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;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;3-6H,7-12H2,1-2H3;1-4,19H,5-10H2;1-4,18H,5-10H2
InChIKeyIMSUPHSUDGSZMY-UHFFFAOYSA-N
XLogP8.38
TPSA344.34 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.11
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 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;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 with MolForge

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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;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 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;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 158744687) 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;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 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;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 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;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 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=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 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;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 IMSUPHSUDGSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S.C17H24N2O4S.C16H22N2O4S.C15H17F3N2O4S.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;1-13(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;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;3-6H,7-12H2,1-2H3;1-4,19H,5-10H2;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;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?
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;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 1814.11 g/mol, XLogP of 8.38, 18 rotatable bonds, 2 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;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 158744687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).