1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine

C14H22N2O4S2 — CID 78788595

IUPAC1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C14H22N2O4S2/c1-4-21(17,18)15-7-9-16(10-8-15)22(19,20)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyRMJGRMZDGUGTKV-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.96
Rot. Bonds4

About 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine

1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine (PubChem CID 78788595) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
PubChem CID78788595
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C14H22N2O4S2/c1-4-21(17,18)15-7-9-16(10-8-15)22(19,20)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyRMJGRMZDGUGTKV-UHFFFAOYSA-N
XLogP0.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
1-(2-ethyl-4-methylphenyl)sulfonylaziridine
CID 175060247
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705351
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 110721585
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine (CID 78788595) is 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
The InChIKey is RMJGRMZDGUGTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-4-21(17,18)15-7-9-16(10-8-15)22(19,20)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine?
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine has a molecular weight of 346.47 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 78788595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).