1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine

C13H20N2O3S — CID 119981951

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(18-3)4-5-13(10)19(16,17)15-7-6-14-11(2)9-15/h4-5,8,11,14H,6-7,9H2,1-3H3
InChIKeyWJWZFQUGHMZHKS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.99
Rot. Bonds3

About 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine

1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine (PubChem CID 119981951) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
PubChem CID119981951
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(18-3)4-5-13(10)19(16,17)15-7-6-14-11(2)9-15/h4-5,8,11,14H,6-7,9H2,1-3H3
InChIKeyWJWZFQUGHMZHKS-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
methyl 3-methyl-4-(3-methylpiperazin-1-yl)sulfonylbenzoate
CID 119982237
1-(4-bromo-2-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710377
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
(3S)-1-[4-(difluoromethyl)-2-methylphenyl]sulfonyl-3-methylpiperazine
CID 70811146
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
3-methyl-1-(2-methyl-4-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119982218
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 120710416
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982158
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-diazepane
CID 82249735

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine (CID 119981951) is 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine is COc1ccc(S(=O)(=O)N2CCNC(C)C2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
The InChIKey is WJWZFQUGHMZHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-12(18-3)4-5-13(10)19(16,17)15-7-6-14-11(2)9-15/h4-5,8,11,14H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine?
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 119981951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).