N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine

C11H23NO2S — CID 115907336

IUPACN-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine
SMILESCCS(=O)CCNC1CC(C)OC(C)C1
InChIInChI=1S/C11H23NO2S/c1-4-15(13)6-5-12-11-7-9(2)14-10(3)8-11/h9-12H,4-8H2,1-3H3
InChIKeyGIKXNAJQJZOWOZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.30
Rot. Bonds5

About N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine

N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine (PubChem CID 115907336) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine
PubChem CID115907336
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine
SMILESCCS(=O)CCNC1CC(C)OC(C)C1
InChIInChI=1S/C11H23NO2S/c1-4-15(13)6-5-12-11-7-9(2)14-10(3)8-11/h9-12H,4-8H2,1-3H3
InChIKeyGIKXNAJQJZOWOZ-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfinylethyl)cycloheptanamine
CID 115627115
N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
CID 115904659
N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 113352479
5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
CID 106234819
N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115689185
3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine
CID 104859809
4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol
CID 75525282
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628
2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine
CID 115908663
5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
CID 107267685
5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976
2-ethyl-N-(2-ethylsulfinylethyl)cyclopentan-1-amine
CID 115719034

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine (CID 115907336) is N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine is CCS(=O)CCNC1CC(C)OC(C)C1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine?
The InChIKey is GIKXNAJQJZOWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-15(13)6-5-12-11-7-9(2)14-10(3)8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine?
N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine has a molecular weight of 233.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 115907336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).