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

C88H123F3N10O20S5 — CID 162051533

IUPAC8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;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(CC2CC2)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F
InChIInChI=1S/C19H26N2O4S.C19H28N2O4S.C18H28N2O4S.C17H24N2O4S.C15H17F3N2O4S/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;1-3-4-11-20-12-9-19(10-13-20)21(14-15-25-19)26(23,24)18-7-5-17(6-8-18)16(2)22;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;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;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/h4-7,16H,2-3,8-14H2,1H3;5-8H,3-4,9-15H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;4-7H,3,8-13H2,1-2H3;1-4,19H,5-10H2
InChIKeyYYPMTUCLLFOANX-UHFFFAOYSA-N
MW1858.33 g/mol
LogP10.18
Rot. Bonds24

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

8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone (PubChem CID 162051533) has the molecular formula C88H123F3N10O20S5 and a molecular weight of 1858.33 g/mol. Its IUPAC name is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone.

Molecular Properties

Compound Name8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone
PubChem CID162051533
Molecular FormulaC88H123F3N10O20S5
Molecular Weight1858.33 g/mol
Exact Mass1856.75
IUPAC Name8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;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(CC2CC2)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F
InChIInChI=1S/C19H26N2O4S.C19H28N2O4S.C18H28N2O4S.C17H24N2O4S.C15H17F3N2O4S/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;1-3-4-11-20-12-9-19(10-13-20)21(14-15-25-19)26(23,24)18-7-5-17(6-8-18)16(2)22;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;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;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/h4-7,16H,2-3,8-14H2,1H3;5-8H,3-4,9-15H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;4-7H,3,8-13H2,1-2H3;1-4,19H,5-10H2
InChIKeyYYPMTUCLLFOANX-UHFFFAOYSA-N
XLogP10.18
TPSA335.55 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.33
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;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 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?
The IUPAC name of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone (CID 162051533) is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone.
What is the SMILES notation for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?
The canonical SMILES for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;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(CC2CC2)CC3)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.CCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C(C)=O)cc1.O=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F.
What is the InChIKey of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?
The InChIKey is YYPMTUCLLFOANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S.C19H28N2O4S.C18H28N2O4S.C17H24N2O4S.C15H17F3N2O4S/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;1-3-4-11-20-12-9-19(10-13-20)21(14-15-25-19)26(23,24)18-7-5-17(6-8-18)16(2)22;1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17;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;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/h4-7,16H,2-3,8-14H2,1H3;5-8H,3-4,9-15H2,1-2H3;5-8H,3-4,9-15H2,1-2H3;4-7H,3,8-13H2,1-2H3;1-4,19H,5-10H2.
What are the key properties of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone?
8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone has a molecular weight of 1858.33 g/mol, XLogP of 10.18, 24 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-[(8-butyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]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;2,2,2-trifluoro-1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone is sourced from PubChem (CID 162051533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).