2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C21H25N3O4S — CID 131649770

IUPAC2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CN(c4ccccc4)C(=O)CN3C)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-22-14-20(25)24(17-6-4-3-5-7-17)16-21(22)12-13-23(15-21)29(26,27)19-10-8-18(28-2)9-11-19/h3-11H,12-16H2,1-2H3
InChIKeyJTQTTYCHRKILOV-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131649770) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131649770
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CN(c4ccccc4)C(=O)CN3C)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-22-14-20(25)24(17-6-4-3-5-7-17)16-21(22)12-13-23(15-21)29(26,27)19-10-8-18(28-2)9-11-19/h3-11H,12-16H2,1-2H3
InChIKeyJTQTTYCHRKILOV-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131649005
2-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155844317
2-(3,4-difluorophenyl)sulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155843920
(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495408
2-benzylsulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131647756
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103788
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131696189
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 97483473
2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 131653378
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131649770) is 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is COc1ccc(S(=O)(=O)N2CCC3(CN(c4ccccc4)C(=O)CN3C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is JTQTTYCHRKILOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-22-14-20(25)24(17-6-4-3-5-7-17)16-21(22)12-13-23(15-21)29(26,27)19-10-8-18(28-2)9-11-19/h3-11H,12-16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 415.52 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131649770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).