[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine

C13H27NO3S — CID 65052194

IUPAC[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine
SMILESCCS(=O)(=O)CCOC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C13H27NO3S/c1-4-18(15,16)10-9-17-13(11-14)7-5-12(2,3)6-8-13/h4-11,14H2,1-3H3
InChIKeyGYZZKBGJUIIMGA-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.74
Rot. Bonds6

About [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine

[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 65052194) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine
PubChem CID65052194
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine
SMILESCCS(=O)(=O)CCOC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C13H27NO3S/c1-4-18(15,16)10-9-17-13(11-14)7-5-12(2,3)6-8-13/h4-11,14H2,1-3H3
InChIKeyGYZZKBGJUIIMGA-UHFFFAOYSA-N
XLogP1.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-ethylsulfonylethoxy)oxan-4-yl]methanamine
CID 65051923
[1-(2-propylsulfonylethoxy)cyclopentyl]methanamine
CID 106721574
[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine
CID 81107245
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245
[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine
CID 65052823
[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
CID 65093753
[1-(2-propan-2-ylsulfonylethoxy)cyclopentyl]methanamine
CID 106721576
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651
[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine
CID 65050468
[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine
CID 65050899
1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65051176
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-cyclopropyl-N-methylacetamide
CID 65050897

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine (CID 65052194) is [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine is CCS(=O)(=O)CCOC1(CN)CCC(C)(C)CC1.
What is the InChIKey of [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is GYZZKBGJUIIMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-4-18(15,16)10-9-17-13(11-14)7-5-12(2,3)6-8-13/h4-11,14H2,1-3H3.
What are the key properties of [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine?
[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 277.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 65052194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).