6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one

C16H22N2O3S — CID 101373592

IUPAC6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC3CCC(C)(C)CN3C2=O)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-4-6-14(7-5-12)22(20,21)18-10-13-8-9-16(2,3)11-17(13)15(18)19/h4-7,13H,8-11H2,1-3H3
InChIKeyOZMWEJPECURQRR-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.61
Rot. Bonds2

About 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one

6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one (PubChem CID 101373592) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
PubChem CID101373592
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC3CCC(C)(C)CN3C2=O)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-4-6-14(7-5-12)22(20,21)18-10-13-8-9-16(2,3)11-17(13)15(18)19/h4-7,13H,8-11H2,1-3H3
InChIKeyOZMWEJPECURQRR-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one with MolForge

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Related Compounds

2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 134964505
5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
CID 102436377
5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580
4-(bromomethyl)-3,3-difluoro-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10832806
(1R,5R)-1-methyl-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexane
CID 125495258
(3aR,5aS,9aR)-2-(4-methylphenyl)sulfonyl-3,3a,4,5a,6,7,8,9-octahydro-1H-indeno[3,3a-c]pyrrol-5-one
CID 57341204
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
N-hydroxy-5,5-dimethyl-1,3-bis-(4-methylphenyl)sulfonyl-1,3-diazinane-2-carboxamide
CID 59079719
(4S)-4-hydroxy-5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-one
CID 101404102

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one (CID 101373592) is 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one is Cc1ccc(S(=O)(=O)N2CC3CCC(C)(C)CN3C2=O)cc1.
What is the InChIKey of 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The InChIKey is OZMWEJPECURQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-4-6-14(7-5-12)22(20,21)18-10-13-8-9-16(2,3)11-17(13)15(18)19/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one has a molecular weight of 322.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 101373592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).