4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide

C92H135N13O18S6 — CID 159342889

About 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide

4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide (PubChem CID 159342889) has the molecular formula C92H135N13O18S6 and a molecular weight of 1903.57 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide.

Molecular Properties

• Compound Name: 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide
• PubChem CID: 159342889
• Molecular Formula: C92H135N13O18S6
• Molecular Weight: 1903.57 g/mol
• Exact Mass: 1901.84
• IUPAC Name: 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide
• SMILES: CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)NC23CCN(CC2CC2)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.O=C1CN(S(=O)(=O)c2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=S=O
• InChI: InChI=1S/C22H34N4O3S.2C18H26N2O3S.C17H23N3O3S.C17H26N2O4S.O2S/c1-17(27)19-6-8-21(9-7-19)30(28,29)26-16-20(15-24(2)3)23-22(26)10-12-25(13-11-22)14-18-4-5-18;2*1-15-2-6-17(7-3-15)24(21,22)20-12-13-23-18(20)8-10-19(11-9-18)14-16-4-5-16;21-16-13-20(24(22,23)15-4-2-1-3-5-15)17(18-16)8-10-19(11-9-17)12-14-6-7-14;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;1-3-2/h6-9,18,20,23H,4-5,10-16H2,1-3H3;2*2-3,6-7,16H,4-5,8-14H2,1H3;1-5,14H,6-13H2,(H,18,21);4-7,14H,8-13H2,1-3H3
• InChIKey: LGIVBFMVFMRHNQ-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 335.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.57
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide?

The IUPAC name of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide (CID 159342889) is 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide.

What is the SMILES notation for 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide?

The canonical SMILES for 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide is CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)NC23CCN(CC2CC2)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.O=C1CN(S(=O)(=O)c2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=S=O.

What is the InChIKey of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide?

The InChIKey is LGIVBFMVFMRHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S.2C18H26N2O3S.C17H23N3O3S.C17H26N2O4S.O2S/c1-17(27)19-6-8-21(9-7-19)30(28,29)26-16-20(15-24(2)3)23-22(26)10-12-25(13-11-22)14-18-4-5-18;2*1-15-2-6-17(7-3-15)24(21,22)20-12-13-23-18(20)8-10-19(11-9-18)14-16-4-5-16;21-16-13-20(24(22,23)15-4-2-1-3-5-15)17(18-16)8-10-19(11-9-17)12-14-6-7-14;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;1-3-2/h6-9,18,20,23H,4-5,10-16H2,1-3H3;2*2-3,6-7,16H,4-5,8-14H2,1H3;1-5,14H,6-13H2,(H,18,21);4-7,14H,8-13H2,1-3H3;.

What are the key properties of 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide?

4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide has a molecular weight of 1903.57 g/mol, XLogP of 8.31, 23 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonyl)-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1,4,8-triazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;bis(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;sulfur dioxide is sourced from PubChem (CID 159342889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).