1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine

C13H26N2O2S — CID 70331892

IUPAC1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-14-8-10-15(11-9-14)18(16,17)12-13-6-4-3-5-7-13/h13H,2-12H2,1H3
InChIKeyPNTNAYGJIUJBCB-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.53
Rot. Bonds4

About 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine

1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine (PubChem CID 70331892) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine
PubChem CID70331892
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-14-8-10-15(11-9-14)18(16,17)12-13-6-4-3-5-7-13/h13H,2-12H2,1H3
InChIKeyPNTNAYGJIUJBCB-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine (CID 70331892) is 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine is CCN1CCN(S(=O)(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine?
The InChIKey is PNTNAYGJIUJBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-14-8-10-15(11-9-14)18(16,17)12-13-6-4-3-5-7-13/h13H,2-12H2,1H3.
What are the key properties of 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine?
1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine has a molecular weight of 274.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)-4-ethylpiperazine is sourced from PubChem (CID 70331892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).