1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine

C14H22N2O2S — CID 110662414

IUPAC1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-6-5-7-14(8-11)19(17,18)16-9-12(2)15(4)13(3)10-16/h5-8,12-13H,9-10H2,1-4H3
InChIKeySPQJVYMFIOUOKY-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds2

About 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine

1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine (PubChem CID 110662414) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
PubChem CID110662414
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-6-5-7-14(8-11)19(17,18)16-9-12(2)15(4)13(3)10-16/h5-8,12-13H,9-10H2,1-4H3
InChIKeySPQJVYMFIOUOKY-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114538277
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4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
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2-bromo-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
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(3aS,7R,7aR)-7-methyl-2-(3-methylphenyl)sulfonyl-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 97369151
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-2,3-dihydro-1H-isoindole
CID 107422451
2-[1-(3-methylphenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618229
4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
2-(bromomethyl)-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 102938149
4-bromo-3-methyl-1-(3-methylphenyl)sulfonylpiperidine
CID 114683757

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine (CID 110662414) is 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)N2CC(C)N(C)C(C)C2)c1.
What is the InChIKey of 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is SPQJVYMFIOUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-6-5-7-14(8-11)19(17,18)16-9-12(2)15(4)13(3)10-16/h5-8,12-13H,9-10H2,1-4H3.
What are the key properties of 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine?
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110662414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).