4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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

C117H165N17O19S5 — CID 157174157

IUPAC4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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
SMILESCC(=O)c1ccc(S(=O)(=O)N2C(CC3=CCC=N3)C(=O)NC23CCN(CC2CC2)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)OC23CCN(CC2CC2)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.O=C1CN(Cc2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=C1CNC2(CCN(CC3CC3)CC2)N1Cc1ccccc1.O=S=O
InChIInChI=1S/C24H30N4O4S.C22H33N3O4S.2C18H25N3O.C18H26N2O3S.C17H26N2O4S.O2S/c1-17(29)19-6-8-21(9-7-19)33(31,32)28-22(15-20-3-2-12-25-20)23(30)26-24(28)10-13-27(14-11-24)16-18-4-5-18;1-17(26)19-6-8-21(9-7-19)30(27,28)25-16-20(15-23(2)3)29-22(25)10-12-24(13-11-22)14-18-4-5-18;22-17-12-19-18(21(17)14-15-4-2-1-3-5-15)8-10-20(11-9-18)13-16-6-7-16;22-17-14-21(13-15-4-2-1-3-5-15)18(19-17)8-10-20(11-9-18)12-16-6-7-16;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;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/h3,6-9,12,18,22H,2,4-5,10-11,13-16H2,1H3,(H,26,30);6-9,18,20H,4-5,10-16H2,1-3H3;1-5,16,19H,6-14H2;1-5,16H,6-14H2,(H,19,22);2-3,6-7,16H,4-5,8-14H2,1H3;4-7,14H,8-13H2,1-3H3;
InChIKeyANUTVLBKBQVWSO-UHFFFAOYSA-N
MW2274.04 g/mol
LogP11.48
Rot. Bonds30

About 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 157174157) has the molecular formula C117H165N17O19S5 and a molecular weight of 2274.04 g/mol. Its IUPAC name is 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 Name4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 CID157174157
Molecular FormulaC117H165N17O19S5
Molecular Weight2274.04 g/mol
Exact Mass2272.11
IUPAC Name4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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
SMILESCC(=O)c1ccc(S(=O)(=O)N2C(CC3=CCC=N3)C(=O)NC23CCN(CC2CC2)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)OC23CCN(CC2CC2)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.O=C1CN(Cc2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=C1CNC2(CCN(CC3CC3)CC2)N1Cc1ccccc1.O=S=O
InChIInChI=1S/C24H30N4O4S.C22H33N3O4S.2C18H25N3O.C18H26N2O3S.C17H26N2O4S.O2S/c1-17(29)19-6-8-21(9-7-19)33(31,32)28-22(15-20-3-2-12-25-20)23(30)26-24(28)10-13-27(14-11-24)16-18-4-5-18;1-17(26)19-6-8-21(9-7-19)30(27,28)25-16-20(15-23(2)3)29-22(25)10-12-24(13-11-22)14-18-4-5-18;22-17-12-19-18(21(17)14-15-4-2-1-3-5-15)8-10-20(11-9-18)13-16-6-7-16;22-17-14-21(13-15-4-2-1-3-5-15)18(19-17)8-10-20(11-9-18)12-16-6-7-16;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;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/h3,6-9,12,18,22H,2,4-5,10-11,13-16H2,1H3,(H,26,30);6-9,18,20H,4-5,10-16H2,1-3H3;1-5,16,19H,6-14H2;1-5,16H,6-14H2,(H,19,22);2-3,6-7,16H,4-5,8-14H2,1H3;4-7,14H,8-13H2,1-3H3;
InChIKeyANUTVLBKBQVWSO-UHFFFAOYSA-N
XLogP11.48
TPSA383.54 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002274.04
LogP ≤ 511.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 157174157) is 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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)N2C(CC3=CCC=N3)C(=O)NC23CCN(CC2CC2)CC3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)OC23CCN(CC2CC2)CC3)cc1.COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)N2CCOC23CCN(CC2CC2)CC3)cc1.O=C1CN(Cc2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=C1CNC2(CCN(CC3CC3)CC2)N1Cc1ccccc1.O=S=O.
What is the InChIKey of 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 ANUTVLBKBQVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S.C22H33N3O4S.2C18H25N3O.C18H26N2O3S.C17H26N2O4S.O2S/c1-17(29)19-6-8-21(9-7-19)33(31,32)28-22(15-20-3-2-12-25-20)23(30)26-24(28)10-13-27(14-11-24)16-18-4-5-18;1-17(26)19-6-8-21(9-7-19)30(27,28)25-16-20(15-23(2)3)29-22(25)10-12-24(13-11-22)14-18-4-5-18;22-17-12-19-18(21(17)14-15-4-2-1-3-5-15)8-10-20(11-9-18)13-16-6-7-16;22-17-14-21(13-15-4-2-1-3-5-15)18(19-17)8-10-20(11-9-18)12-16-6-7-16;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;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/h3,6-9,12,18,22H,2,4-5,10-11,13-16H2,1H3,(H,26,30);6-9,18,20H,4-5,10-16H2,1-3H3;1-5,16,19H,6-14H2;1-5,16H,6-14H2,(H,19,22);2-3,6-7,16H,4-5,8-14H2,1H3;4-7,14H,8-13H2,1-3H3;.
What are the key properties of 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 2274.04 g/mol, XLogP of 11.48, 30 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)sulfonyl-8-(cyclopropylmethyl)-3-(3H-pyrrol-5-ylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one;1-[4-[[8-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;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 157174157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).