1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine

C14H22N2O4S — CID 6458543

IUPAC1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1C
InChIInChI=1S/C14H22N2O4S/c1-11-9-13(20-4)14(10-12(11)19-3)21(17,18)16-7-5-15(2)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyVPKBMQSHWBVEBE-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.95
Rot. Bonds4

About 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine

1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 6458543) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID6458543
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1C
InChIInChI=1S/C14H22N2O4S/c1-11-9-13(20-4)14(10-12(11)19-3)21(17,18)16-7-5-15(2)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyVPKBMQSHWBVEBE-UHFFFAOYSA-N
XLogP0.95
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817224
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796597
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine (CID 6458543) is 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine is COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1C.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is VPKBMQSHWBVEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-9-13(20-4)14(10-12(11)19-3)21(17,18)16-7-5-15(2)6-8-16/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 314.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 6458543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).