3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine

C9H19NO2S — CID 115903468

IUPAC3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCS(C)=O)C1
InChIInChI=1S/C9H19NO2S/c1-3-12-9-6-8(7-9)10-4-5-13(2)11/h8-10H,3-7H2,1-2H3
InChIKeyLTLPLTHLQLCCCG-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.52
Rot. Bonds6

About 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine

3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine (PubChem CID 115903468) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine
PubChem CID115903468
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCS(C)=O)C1
InChIInChI=1S/C9H19NO2S/c1-3-12-9-6-8(7-9)10-4-5-13(2)11/h8-10H,3-7H2,1-2H3
InChIKeyLTLPLTHLQLCCCG-UHFFFAOYSA-N
XLogP0.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 103921024
N-(2-methylpropyl)-3-(3-methylsulfanylpropoxy)cyclobutan-1-amine
CID 167191692
1-[[3-(2-Propoxyethoxy)cyclobutyl]amino]ethanethiol
CID 169824426
3-(3-methylsulfanylpropoxy)-N-propylcyclobutan-1-amine
CID 169934389
N-ethyl-3-(3-methylsulfanylpropoxy)cyclobutan-1-amine
CID 170250840
4-butoxy-1-methylsulfonyl-N-propylbutan-2-amine
CID 55093761
4-methoxy-N-(2-methylsulfonylethyl)butan-2-amine
CID 61871496
3-(2-methylsulfonylethoxy)-N-propan-2-ylpropan-1-amine
CID 62342412
1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine
CID 64630109
3-(3-Methylsulfonylpropoxy)cyclobutan-1-amine
CID 65983481
3-(2-Ethylsulfonylethoxy)cyclobutan-1-amine
CID 65983672
N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine
CID 102613936

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine (CID 115903468) is 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine is CCOC1CC(NCCS(C)=O)C1.
What is the InChIKey of 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
The InChIKey is LTLPLTHLQLCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-12-9-6-8(7-9)10-4-5-13(2)11/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine is sourced from PubChem (CID 115903468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).