1-(2-methylsulfonylphenyl)-4-propylpiperazine

C14H22N2O2S — CID 71653447

IUPAC1-(2-methylsulfonylphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)19(2,17)18/h4-7H,3,8-12H2,1-2H3
InChIKeyKLTMOUQCSMUREL-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-methylsulfonylphenyl)-4-propylpiperazine

1-(2-methylsulfonylphenyl)-4-propylpiperazine (PubChem CID 71653447) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2-methylsulfonylphenyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylphenyl)-4-propylpiperazine
PubChem CID71653447
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2-methylsulfonylphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)19(2,17)18/h4-7H,3,8-12H2,1-2H3
InChIKeyKLTMOUQCSMUREL-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxomemazine
CID 19396
1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine
CID 11529282
10-Ethyl-10H-phenothiazine 5,5-dioxide
CID 621197
Thiomorpholine, 4-phenyl-, 1,1-dioxide
CID 87241
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
CID 45380179
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
1-(2-(Methylthio)phenyl)piperazine
CID 2736895
Oxomemazine hydrochloride
CID 3083870
4-(2-Benzenesulfonylphenyl)piperazine
CID 11849201
2-(benzenesulfonyl)-N-methyl-5-piperazin-1-ylaniline;hydrochloride
CID 71727892
1-(Ethylsulfonyl)-4-phenylpiperazine
CID 230726

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylphenyl)-4-propylpiperazine?
The IUPAC name of 1-(2-methylsulfonylphenyl)-4-propylpiperazine (CID 71653447) is 1-(2-methylsulfonylphenyl)-4-propylpiperazine.
What is the SMILES notation for 1-(2-methylsulfonylphenyl)-4-propylpiperazine?
The canonical SMILES for 1-(2-methylsulfonylphenyl)-4-propylpiperazine is CCCN1CCN(c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylsulfonylphenyl)-4-propylpiperazine?
The InChIKey is KLTMOUQCSMUREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)19(2,17)18/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-(2-methylsulfonylphenyl)-4-propylpiperazine?
1-(2-methylsulfonylphenyl)-4-propylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylphenyl)-4-propylpiperazine is sourced from PubChem (CID 71653447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).