6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one

C19H30N2O3S — CID 146153229

IUPAC6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1C
InChIInChI=1S/C19H30N2O3S/c1-12(2)21-17(22)10-20(11-19(21,7)8)25(23,24)18-15(5)13(3)9-14(4)16(18)6/h9,12H,10-11H2,1-8H3
InChIKeyYSJDOMBOQSJYJO-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.94
Rot. Bonds3

About 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one

6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one (PubChem CID 146153229) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
PubChem CID146153229
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1C
InChIInChI=1S/C19H30N2O3S/c1-12(2)21-17(22)10-20(11-19(21,7)8)25(23,24)18-15(5)13(3)9-14(4)16(18)6/h9,12H,10-11H2,1-8H3
InChIKeyYSJDOMBOQSJYJO-UHFFFAOYSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
CID 146126571
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
CID 81097436
1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
CID 7406129
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155348
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106504815
4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
CID 90590315
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392
6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]oxypyran-2-one
CID 90628877
4,4-dimethyl-1-propan-2-ylazetidin-2-one
CID 15269781

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one (CID 146153229) is 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one is Cc1cc(C)c(C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1C.
What is the InChIKey of 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
The InChIKey is YSJDOMBOQSJYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-12(2)21-17(22)10-20(11-19(21,7)8)25(23,24)18-15(5)13(3)9-14(4)16(18)6/h9,12H,10-11H2,1-8H3.
What are the key properties of 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one?
6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one has a molecular weight of 366.53 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 146153229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).