1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine

C17H28N2O4S — CID 110290267

IUPAC1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCOCCN1C(C)CN(S(=O)(=O)c2ccc(OC)cc2C)CC1C
InChIInChI=1S/C17H28N2O4S/c1-13-10-16(23-5)6-7-17(13)24(20,21)18-11-14(2)19(8-9-22-4)15(3)12-18/h6-7,10,14-15H,8-9,11-12H2,1-5H3
InChIKeyPSJSOGZJFZSOQE-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine

1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine (PubChem CID 110290267) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
PubChem CID110290267
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCOCCN1C(C)CN(S(=O)(=O)c2ccc(OC)cc2C)CC1C
InChIInChI=1S/C17H28N2O4S/c1-13-10-16(23-5)6-7-17(13)24(20,21)18-11-14(2)19(8-9-22-4)15(3)12-18/h6-7,10,14-15H,8-9,11-12H2,1-5H3
InChIKeyPSJSOGZJFZSOQE-UHFFFAOYSA-N
XLogP1.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine (CID 110290267) is 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine is COCCN1C(C)CN(S(=O)(=O)c2ccc(OC)cc2C)CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
The InChIKey is PSJSOGZJFZSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13-10-16(23-5)6-7-17(13)24(20,21)18-11-14(2)19(8-9-22-4)15(3)12-18/h6-7,10,14-15H,8-9,11-12H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine has a molecular weight of 356.49 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine is sourced from PubChem (CID 110290267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).