1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine

C14H22N2O4S2 — CID 110819045

IUPAC1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H22N2O4S2/c1-3-12-21(17,18)15-8-10-16(11-9-15)22(19,20)14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3
InChIKeyQIAXOOYOLWAZOX-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.04
Rot. Bonds5

About 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine

1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine (PubChem CID 110819045) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
PubChem CID110819045
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H22N2O4S2/c1-3-12-21(17,18)15-8-10-16(11-9-15)22(19,20)14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3
InChIKeyQIAXOOYOLWAZOX-UHFFFAOYSA-N
XLogP1.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(2-nitrophenyl)sulfonyl-4-propylsulfonylpiperazine;oxalic acid
CID 171154767
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
N,N-diethyl-4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]aniline
CID 113078885
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-(3,4-dimethylphenyl)sulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799671
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine (CID 110819045) is 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine?
The InChIKey is QIAXOOYOLWAZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-3-12-21(17,18)15-8-10-16(11-9-15)22(19,20)14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine?
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine has a molecular weight of 346.47 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine is sourced from PubChem (CID 110819045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).