2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine

C15H30N2O2S — CID 64843977

IUPAC2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1CN(CCCS(C)(=O)=O)C(C2CCCCC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-13-12-17(9-6-10-20(2,18)19)15(11-16-13)14-7-4-3-5-8-14/h13-16H,3-12H2,1-2H3
InChIKeyXYFIFECVTIEKEE-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds5

About 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine

2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64843977) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64843977
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1CN(CCCS(C)(=O)=O)C(C2CCCCC2)CN1
InChIInChI=1S/C15H30N2O2S/c1-13-12-17(9-6-10-20(2,18)19)15(11-16-13)14-7-4-3-5-8-14/h13-16H,3-12H2,1-2H3
InChIKeyXYFIFECVTIEKEE-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine (CID 64843977) is 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine is CC1CN(CCCS(C)(=O)=O)C(C2CCCCC2)CN1.
What is the InChIKey of 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is XYFIFECVTIEKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13-12-17(9-6-10-20(2,18)19)15(11-16-13)14-7-4-3-5-8-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine?
2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 302.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64843977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).