2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine

C13H26N2O2S — CID 64845062

IUPAC2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCNCC1C1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)10-9-15-8-7-14-11-13(15)12-5-3-2-4-6-12/h12-14H,2-11H2,1H3
InChIKeyVTRWUCWAVIWJNX-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.89
Rot. Bonds4

About 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine

2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64845062) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine
PubChem CID64845062
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCNCC1C1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)10-9-15-8-7-14-11-13(15)12-5-3-2-4-6-12/h12-14H,2-11H2,1H3
InChIKeyVTRWUCWAVIWJNX-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-(2-ethylsulfonylethyl)piperazine
CID 106732784
N-[2-(2-cyclohexylpiperazin-1-yl)ethyl]methanesulfonamide;dihydrochloride
CID 69430196
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
2-cyclohexyl-1-hexylpiperazine
CID 64846644
1-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681509
2-cyclohexyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414076
2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458501
2-cyclohexyl-5-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64843977
1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
CID 107897882
1-butyl-2-cyclopropylpiperazine
CID 64833159
1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
CID 64852031
2-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64833359

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine (CID 64845062) is 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCNCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is VTRWUCWAVIWJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-18(16,17)10-9-15-8-7-14-11-13(15)12-5-3-2-4-6-12/h12-14H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine?
2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 274.43 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64845062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).