4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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

C103H144F3N13O21S5 — CID 157269332

About 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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

4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 157269332) has the molecular formula C103H144F3N13O21S5 and a molecular weight of 2117.68 g/mol. Its IUPAC name is 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 Name: 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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: 157269332
• Molecular Formula: C103H144F3N13O21S5
• Molecular Weight: 2117.68 g/mol
• Exact Mass: 2115.92
• IUPAC Name: 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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
• SMILES: 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.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.O=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F
• InChI: InChI=1S/C19H26N2O4S.C19H28N2O4S.C18H28N2O4S.C17H24N2O4S.C15H17F3N2O4S.C15H21N3O/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;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13/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;2-6H,7-12H2,1H3,(H,16,19)
• InChIKey: AYIWWDAHICALTH-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 371.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2117.68
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 157269332) is 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.O=C(c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1)C(F)(F)F.

What is the InChIKey of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 AYIWWDAHICALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S.C19H28N2O4S.C18H28N2O4S.C17H24N2O4S.C15H17F3N2O4S.C15H21N3O/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;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13/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;2-6H,7-12H2,1H3,(H,16,19).

What are the key properties of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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?

4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 2117.68 g/mol, XLogP of 11.22, 26 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;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 157269332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).