4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)

C81H118N10O22S8 — CID 158718842

About 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)

4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide) (PubChem CID 158718842) has the molecular formula C81H118N10O22S8 and a molecular weight of 1840.42 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide).

Molecular Properties

• Compound Name: 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)
• PubChem CID: 158718842
• Molecular Formula: C81H118N10O22S8
• Molecular Weight: 1840.42 g/mol
• Exact Mass: 1838.62
• IUPAC Name: 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)
• SMILES: COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.O=S(=O)(c1ccccc1)N1CCOC12CCN(CC1CC1)CC2.O=S=O.O=S=O.O=S=O
• InChI: InChI=1S/C18H26N2O3S.C17H26N2O4S.C17H24N2O3S.C15H22N2O3S.C14H20N2O3S.3O2S/c1-15-2-6-17(7-3-15)24(21,22)20-12-13-23-18(20)8-10-19(11-9-18)14-16-4-5-16;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;20-23(21,16-4-2-1-3-5-16)19-12-13-22-17(19)8-10-18(11-9-17)14-15-6-7-15;1-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16(2)10-8-15;1-12-2-4-13(5-3-12)20(17,18)16-10-11-19-14(16)6-8-15-9-7-14;3*1-3-2/h2-3,6-7,16H,4-5,8-14H2,1H3;4-7,14H,8-13H2,1-3H3;1-5,15H,6-14H2;3-6H,7-12H2,1-2H3;2-5,15H,6-11H2,1H3
• InChIKey: IJQRECVWZSOCEK-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 369.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.42
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)?

The IUPAC name of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide) (CID 158718842) is 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide).

What is the SMILES notation for 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)?

The canonical SMILES for 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide) is COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.O=S(=O)(c1ccccc1)N1CCOC12CCN(CC1CC1)CC2.O=S=O.O=S=O.O=S=O.

What is the InChIKey of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)?

The InChIKey is IJQRECVWZSOCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S.C17H26N2O4S.C17H24N2O3S.C15H22N2O3S.C14H20N2O3S.3O2S/c1-15-2-6-17(7-3-15)24(21,22)20-12-13-23-18(20)8-10-19(11-9-18)14-16-4-5-16;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;20-23(21,16-4-2-1-3-5-16)19-12-13-22-17(19)8-10-18(11-9-17)14-15-6-7-15;1-13-3-5-14(6-4-13)21(18,19)17-11-12-20-15(17)7-9-16(2)10-8-15;1-12-2-4-13(5-3-12)20(17,18)16-10-11-19-14(16)6-8-15-9-7-14;3*1-3-2/h2-3,6-7,16H,4-5,8-14H2,1H3;4-7,14H,8-13H2,1-3H3;1-5,15H,6-14H2;3-6H,7-12H2,1-2H3;2-5,15H,6-11H2,1H3;;;.

What are the key properties of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide)?

4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide) has a molecular weight of 1840.42 g/mol, XLogP of 6.57, 16 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane;8-(cyclopropylmethyl)-4-(4-methylphenyl)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;8-methyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;tris(sulfur dioxide) is sourced from PubChem (CID 158718842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).