1-cyclohexyl-4-methylsulfonylpiperazine

C11H22N2O2S — CID 787179

IUPAC1-cyclohexyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyNCYLXMCNJYVWRX-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.90
Rot. Bonds2

About 1-cyclohexyl-4-methylsulfonylpiperazine

1-cyclohexyl-4-methylsulfonylpiperazine (PubChem CID 787179) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-methylsulfonylpiperazine
PubChem CID787179
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-cyclohexyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyNCYLXMCNJYVWRX-UHFFFAOYSA-N
XLogP0.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylsulfonyl-2-(2-piperidin-1-ylethyl)piperidine
CID 249321
2-Cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359907
2-Cyclohexyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359916
1-Methylsulfonyl-4-pentan-3-ylpiperazine
CID 130370553
1-(4-Methylcyclohexyl)-4-(methylsulfonyl)piperazine
CID 644497
1-Methyl-4-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 53518679
1-ethyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylpiperazine
CID 95155157
1-Cyclohexyl-4-(propylsulfonyl)piperazine
CID 740733
1-Cyclooctyl-4-(methylsulfonyl)piperazine
CID 1151856
1-(Butylsulfonyl)-4-cyclohexylpiperazine
CID 2225128
1-Cyclohexyl-4-(cyclopropylsulfonyl)piperazine
CID 45504959
1-Cycloheptyl-4-methylsulfonylpiperazine;hydrochloride
CID 123132411

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-methylsulfonylpiperazine (CID 787179) is 1-cyclohexyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-methylsulfonylpiperazine?
The InChIKey is NCYLXMCNJYVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-4-methylsulfonylpiperazine?
1-cyclohexyl-4-methylsulfonylpiperazine has a molecular weight of 246.38 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 787179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).