4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one

C91H124N18O9S — CID 158024649

IUPAC4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(=O)NC23CCNCC3)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1.O=C1CN(Cc2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=C1CN(Cc2ccccc2)C2(CCNCC2)N1.O=C1CNC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C18H25N3O.C15H19N3O4S.2C15H21N3O.2C14H19N3O/c22-17-14-21(13-15-4-2-1-3-5-15)18(19-17)8-10-20(11-9-18)12-16-6-7-16;1-11(19)12-2-4-13(5-3-12)23(21,22)18-10-14(20)17-15(18)6-8-16-9-7-15;1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13;18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12;18-13-11-17(10-12-4-2-1-3-5-12)14(16-13)6-8-15-9-7-14/h1-5,16H,6-14H2,(H,19,22);2-5,16H,6-10H2,1H3,(H,17,20);2-6,16H,7-12H2,1H3;2-6H,7-12H2,1H3,(H,16,19);1-5,15-16H,6-11H2;1-5,15H,6-11H2,(H,16,18)
InChIKeyFGLOXDCKJJDWNL-UHFFFAOYSA-N
MW1646.18 g/mol
LogP5.39
Rot. Bonds15

About 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one

4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 158024649) has the molecular formula C91H124N18O9S and a molecular weight of 1646.18 g/mol. Its IUPAC name is 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID158024649
Molecular FormulaC91H124N18O9S
Molecular Weight1646.18 g/mol
Exact Mass1644.95
IUPAC Name4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(=O)NC23CCNCC3)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1.O=C1CN(Cc2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=C1CN(Cc2ccccc2)C2(CCNCC2)N1.O=C1CNC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C18H25N3O.C15H19N3O4S.2C15H21N3O.2C14H19N3O/c22-17-14-21(13-15-4-2-1-3-5-15)18(19-17)8-10-20(11-9-18)12-16-6-7-16;1-11(19)12-2-4-13(5-3-12)23(21,22)18-10-14(20)17-15(18)6-8-16-9-7-15;1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13;18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12;18-13-11-17(10-12-4-2-1-3-5-12)14(16-13)6-8-15-9-7-14/h1-5,16H,6-14H2,(H,19,22);2-5,16H,6-10H2,1H3,(H,17,20);2-6,16H,7-12H2,1H3;2-6H,7-12H2,1H3,(H,16,19);1-5,15-16H,6-11H2;1-5,15H,6-11H2,(H,16,18)
InChIKeyFGLOXDCKJJDWNL-UHFFFAOYSA-N
XLogP5.39
TPSA291.06 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001646.18
LogP ≤ 55.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 158024649) is 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one is CC(=O)c1ccc(S(=O)(=O)N2CC(=O)NC23CCNCC3)cc1.CN1CCC2(CC1)NC(=O)CN2Cc1ccccc1.CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1.O=C1CN(Cc2ccccc2)C2(CCN(CC3CC3)CC2)N1.O=C1CN(Cc2ccccc2)C2(CCNCC2)N1.O=C1CNC2(CCNCC2)N1Cc1ccccc1.
What is the InChIKey of 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is FGLOXDCKJJDWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C15H19N3O4S.2C15H21N3O.2C14H19N3O/c22-17-14-21(13-15-4-2-1-3-5-15)18(19-17)8-10-20(11-9-18)12-16-6-7-16;1-11(19)12-2-4-13(5-3-12)23(21,22)18-10-14(20)17-15(18)6-8-16-9-7-15;1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;1-17-9-7-15(8-10-17)16-14(19)12-18(15)11-13-5-3-2-4-6-13;18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12;18-13-11-17(10-12-4-2-1-3-5-12)14(16-13)6-8-15-9-7-14/h1-5,16H,6-14H2,(H,19,22);2-5,16H,6-10H2,1H3,(H,17,20);2-6,16H,7-12H2,1H3;2-6H,7-12H2,1H3,(H,16,19);1-5,15-16H,6-11H2;1-5,15H,6-11H2,(H,16,18).
What are the key properties of 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 1646.18 g/mol, XLogP of 5.39, 15 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)sulfonyl-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-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 158024649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).