1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine

C13H20N2O3S — CID 746471

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C13H20N2O3S/c1-11-4-5-12(18-3)13(10-11)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyXTVWBDNKXYDAPS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.94
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine

1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 746471) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID746471
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C13H20N2O3S/c1-11-4-5-12(18-3)13(10-11)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyXTVWBDNKXYDAPS-UHFFFAOYSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780890
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine
CID 110399025
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine (CID 746471) is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine is COc1ccc(C)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is XTVWBDNKXYDAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-4-5-12(18-3)13(10-11)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine?
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 746471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).