1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine

C13H26N2O2S — CID 2900133

IUPAC1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
SMILESCCS(=O)(=O)N1CCN(C2CCCC(C)C2)CC1
InChIInChI=1S/C13H26N2O2S/c1-3-18(16,17)15-9-7-14(8-10-15)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3
InChIKeyDSKJNSAMSJTGHR-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.53
Rot. Bonds3

About 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine

1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine (PubChem CID 2900133) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
PubChem CID2900133
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
SMILESCCS(=O)(=O)N1CCN(C2CCCC(C)C2)CC1
InChIInChI=1S/C13H26N2O2S/c1-3-18(16,17)15-9-7-14(8-10-15)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3
InChIKeyDSKJNSAMSJTGHR-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 784145
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
4-[(1S,3S)-3-methylcyclohexyl]piperazine-1-carbaldehyde
CID 758116
4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
1-ethylsulfonyl-4-(2-methylcyclohexyl)piperazine
CID 3145555
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 90483648
2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 3708932
N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine (CID 2900133) is 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine is CCS(=O)(=O)N1CCN(C2CCCC(C)C2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine?
The InChIKey is DSKJNSAMSJTGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-18(16,17)15-9-7-14(8-10-15)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine?
1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine has a molecular weight of 274.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine is sourced from PubChem (CID 2900133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).