3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine

C12H25NO2S — CID 64743190

IUPAC3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCCS(=O)(=O)CC)C1
InChIInChI=1S/C12H25NO2S/c1-3-11-6-5-7-12(10-11)13-8-9-16(14,15)4-2/h11-13H,3-10H2,1-2H3
InChIKeyNLNGRZBSIWGBJB-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine

3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine (PubChem CID 64743190) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
PubChem CID64743190
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCCS(=O)(=O)CC)C1
InChIInChI=1S/C12H25NO2S/c1-3-11-6-5-7-12(10-11)13-8-9-16(14,15)4-2/h11-13H,3-10H2,1-2H3
InChIKeyNLNGRZBSIWGBJB-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine (CID 64743190) is 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine is CCC1CCCC(NCCS(=O)(=O)CC)C1.
What is the InChIKey of 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is NLNGRZBSIWGBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-11-6-5-7-12(10-11)13-8-9-16(14,15)4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine?
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 64743190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).