1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine

C13H26N2O2S — CID 144507182

IUPAC1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine
SMILESCC1CCC(CS(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-12-3-5-13(6-4-12)11-18(16,17)15-9-7-14(2)8-10-15/h12-13H,3-11H2,1-2H3
InChIKeyUIHPHZHNQMRNMX-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.39
Rot. Bonds3

About 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine

1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine (PubChem CID 144507182) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine
PubChem CID144507182
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine
SMILESCC1CCC(CS(=O)(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-12-3-5-13(6-4-12)11-18(16,17)15-9-7-14(2)8-10-15/h12-13H,3-11H2,1-2H3
InChIKeyUIHPHZHNQMRNMX-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine (CID 144507182) is 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine is CC1CCC(CS(=O)(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine?
The InChIKey is UIHPHZHNQMRNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12-3-5-13(6-4-12)11-18(16,17)15-9-7-14(2)8-10-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine?
1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine has a molecular weight of 274.43 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylcyclohexyl)methylsulfonyl]piperazine is sourced from PubChem (CID 144507182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).