3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine

C12H25NO3S — CID 113352099

IUPAC3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCS(=O)(=O)CC)C1(C)C
InChIInChI=1S/C12H25NO3S/c1-5-16-11-9-10(12(11,3)4)13-7-8-17(14,15)6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyOAQYAMCZOJBONJ-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.21
Rot. Bonds7

About 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 113352099) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
PubChem CID113352099
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCS(=O)(=O)CC)C1(C)C
InChIInChI=1S/C12H25NO3S/c1-5-16-11-9-10(12(11,3)4)13-7-8-17(14,15)6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyOAQYAMCZOJBONJ-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine with MolForge

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Related Compounds

cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 114119196
3-ethoxy-2,2-dimethyl-N-(2-prop-2-ynylsulfanylethyl)cyclobutan-1-amine
CID 115906363

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine (CID 113352099) is 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCCS(=O)(=O)CC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is OAQYAMCZOJBONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-5-16-11-9-10(12(11,3)4)13-7-8-17(14,15)6-2/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 113352099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).