8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C85H123F3N10O22S7 — CID 167630800

IUPAC8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCN(CC1CC1)CC2
InChIInChI=1S/C18H23F3N2O4S.C18H26N2O5S2.C18H28N2O4S.C17H26N2O4S.C14H20N2O5S2/c19-18(20,21)27-15-3-5-16(6-4-15)28(24,25)23-11-12-26-17(23)7-9-22(10-8-17)13-14-1-2-14;1-26(21,22)16-4-6-17(7-5-16)27(23,24)20-12-13-25-18(20)8-10-19(11-9-18)14-15-2-3-15;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;1-14(2)18-10-8-17(9-11-18)19(12-13-23-17)24(20,21)16-6-4-15(22-3)5-7-16;1-22(17,18)12-2-4-13(5-3-12)23(19,20)16-10-11-21-14(16)6-8-15-9-7-14/h3-6,14H,1-2,7-13H2;4-7,15H,2-3,8-14H2,1H3;5-8H,3-4,9-15H2,1-2H3;4-7,14H,8-13H2,1-3H3;2-5,15H,6-11H2,1H3
InChIKeyNTRFPUFFWGZUCQ-UHFFFAOYSA-N
MW1918.43 g/mol
LogP8.54
Rot. Bonds23

About 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 167630800) has the molecular formula C85H123F3N10O22S7 and a molecular weight of 1918.43 g/mol. Its IUPAC name is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID167630800
Molecular FormulaC85H123F3N10O22S7
Molecular Weight1918.43 g/mol
Exact Mass1916.68
IUPAC Name8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCN(CC1CC1)CC2
InChIInChI=1S/C18H23F3N2O4S.C18H26N2O5S2.C18H28N2O4S.C17H26N2O4S.C14H20N2O5S2/c19-18(20,21)27-15-3-5-16(6-4-15)28(24,25)23-11-12-26-17(23)7-9-22(10-8-17)13-14-1-2-14;1-26(21,22)16-4-6-17(7-5-16)27(23,24)20-12-13-25-18(20)8-10-19(11-9-18)14-15-2-3-15;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;1-14(2)18-10-8-17(9-11-18)19(12-13-23-17)24(20,21)16-6-4-15(22-3)5-7-16;1-22(17,18)12-2-4-13(5-3-12)23(19,20)16-10-11-21-14(16)6-8-15-9-7-14/h3-6,14H,1-2,7-13H2;4-7,15H,2-3,8-14H2,1H3;5-8H,3-4,9-15H2,1-2H3;4-7,14H,8-13H2,1-3H3;2-5,15H,6-11H2,1H3
InChIKeyNTRFPUFFWGZUCQ-UHFFFAOYSA-N
XLogP8.54
TPSA354.01 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001918.43
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 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;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 167630800) is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCOC12CCN(CC1CC1)CC2.
What is the InChIKey of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is NTRFPUFFWGZUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4S.C18H26N2O5S2.C18H28N2O4S.C17H26N2O4S.C14H20N2O5S2/c19-18(20,21)27-15-3-5-16(6-4-15)28(24,25)23-11-12-26-17(23)7-9-22(10-8-17)13-14-1-2-14;1-26(21,22)16-4-6-17(7-5-16)27(23,24)20-12-13-25-18(20)8-10-19(11-9-18)14-15-2-3-15;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;1-14(2)18-10-8-17(9-11-18)19(12-13-23-17)24(20,21)16-6-4-15(22-3)5-7-16;1-22(17,18)12-2-4-13(5-3-12)23(19,20)16-10-11-21-14(16)6-8-15-9-7-14/h3-6,14H,1-2,7-13H2;4-7,15H,2-3,8-14H2,1H3;5-8H,3-4,9-15H2,1-2H3;4-7,14H,8-13H2,1-3H3;2-5,15H,6-11H2,1H3.
What are the key properties of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 1918.43 g/mol, XLogP of 8.54, 23 rotatable bonds, 1 hydrogen bond donors, and 27 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;8-(cyclopropylmethyl)-4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 167630800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).