1-(cyclohexylmethyl)-4-methylsulfonylpiperazine

C12H24N2O2S — CID 127418381

IUPAC1-(cyclohexylmethyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3
InChIKeyMRMXUJALNFEKHO-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.14
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine

1-(cyclohexylmethyl)-4-methylsulfonylpiperazine (PubChem CID 127418381) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-methylsulfonylpiperazine
PubChem CID127418381
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(cyclohexylmethyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3
InChIKeyMRMXUJALNFEKHO-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine (CID 127418381) is 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine?
The InChIKey is MRMXUJALNFEKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine?
1-(cyclohexylmethyl)-4-methylsulfonylpiperazine has a molecular weight of 260.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 127418381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).