3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine

C14H28N2O2S — CID 64833283

IUPAC3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCS(=O)(=O)CCCN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-19(17,18)11-5-9-16-10-8-15-14(12-16)13-6-3-2-4-7-13/h13-15H,2-12H2,1H3
InChIKeyCVQYLNFQCIQVIC-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.28
Rot. Bonds5

About 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine

3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64833283) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64833283
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCS(=O)(=O)CCCN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-19(17,18)11-5-9-16-10-8-15-14(12-16)13-6-3-2-4-7-13/h13-15H,2-12H2,1H3
InChIKeyCVQYLNFQCIQVIC-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049
3-cyclohexyl-1-(2-cyclopentyloxyethyl)piperazine
CID 64951819
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
CID 81114088
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
3-cyclopropyl-1-octylpiperazine
CID 64833415
3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
CID 64954449
(3aS,6aS)-5-(3-ethylsulfonylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 65096945
1-(2-cyclohexyloxyethyl)-3-cyclopropylpiperazine
CID 64953422
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64862396
3-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64834609
6-(2-ethylsulfonylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682496

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine (CID 64833283) is 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine is CS(=O)(=O)CCCN1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is CVQYLNFQCIQVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-19(17,18)11-5-9-16-10-8-15-14(12-16)13-6-3-2-4-7-13/h13-15H,2-12H2,1H3.
What are the key properties of 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine?
3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 288.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64833283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).