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

C13H20N2O3S — CID 1076577

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-11-10-12(18-3)4-5-13(11)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyRSMMZHGBIKDSEM-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.94
Rot. Bonds3

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

1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 1076577) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID1076577
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-11-10-12(18-3)4-5-13(11)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyRSMMZHGBIKDSEM-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-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine (CID 1076577) is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is RSMMZHGBIKDSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-10-12(18-3)4-5-13(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-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
1-(4-methoxy-2-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-(4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 1076577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).