6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one

C16H24N2O3S — CID 146126571

IUPAC6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
SMILESCc1cccc(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1
InChIInChI=1S/C16H24N2O3S/c1-12(2)18-15(19)10-17(11-16(18,4)5)22(20,21)14-8-6-7-13(3)9-14/h6-9,12H,10-11H2,1-5H3
InChIKeySNSFOXUKCXDRIU-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.01
Rot. Bonds3

About 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one

6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one (PubChem CID 146126571) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
PubChem CID146126571
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
SMILESCc1cccc(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1
InChIInChI=1S/C16H24N2O3S/c1-12(2)18-15(19)10-17(11-16(18,4)5)22(20,21)14-8-6-7-13(3)9-14/h6-9,12H,10-11H2,1-5H3
InChIKeySNSFOXUKCXDRIU-UHFFFAOYSA-N
XLogP2.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
CID 146153229
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
3-methyl-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 63135546
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696
N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
CID 63241431
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
CID 64693296
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one (CID 146126571) is 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one is Cc1cccc(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1.
What is the InChIKey of 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is SNSFOXUKCXDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)18-15(19)10-17(11-16(18,4)5)22(20,21)14-8-6-7-13(3)9-14/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one?
6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 324.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 146126571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).