1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine

C14H28N2O2S — CID 777548

IUPAC1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-12-19(17,18)16-10-8-15(9-11-16)14-6-4-13(2)5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyWWJYYJUXIPFREU-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine

1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine (PubChem CID 777548) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine
PubChem CID777548
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-12-19(17,18)16-10-8-15(9-11-16)14-6-4-13(2)5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyWWJYYJUXIPFREU-UHFFFAOYSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine (CID 777548) is 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine?
The InChIKey is WWJYYJUXIPFREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-12-19(17,18)16-10-8-15(9-11-16)14-6-4-13(2)5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine?
1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 777548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).