1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine

C13H27N3O2S — CID 64682054

IUPAC1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCS(=O)(=O)N1CCN(CCC2(N)CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-11-9-15(10-12-16)8-7-13(14)5-3-2-4-6-13/h2-12,14H2,1H3
InChIKeyJICUAAPCWDUFIW-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.62
Rot. Bonds4

About 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine

1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 64682054) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID64682054
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCS(=O)(=O)N1CCN(CCC2(N)CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-11-9-15(10-12-16)8-7-13(14)5-3-2-4-6-13/h2-12,14H2,1H3
InChIKeyJICUAAPCWDUFIW-UHFFFAOYSA-N
XLogP0.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine (CID 64682054) is 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine is CS(=O)(=O)N1CCN(CCC2(N)CCCCC2)CC1.
What is the InChIKey of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is JICUAAPCWDUFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-19(17,18)16-11-9-15(10-12-16)8-7-13(14)5-3-2-4-6-13/h2-12,14H2,1H3.
What are the key properties of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64682054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).