2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine

C11H23NO2S — CID 104586321

IUPAC2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCCS(=O)CCNCC1(C)CCOCC1
InChIInChI=1S/C11H23NO2S/c1-3-15(13)9-6-12-10-11(2)4-7-14-8-5-11/h12H,3-10H2,1-2H3
InChIKeyGARQYYPZWBNIFV-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.16
Rot. Bonds6

About 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine

2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 104586321) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID104586321
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCCS(=O)CCNCC1(C)CCOCC1
InChIInChI=1S/C11H23NO2S/c1-3-15(13)9-6-12-10-11(2)4-7-14-8-5-11/h12H,3-10H2,1-2H3
InChIKeyGARQYYPZWBNIFV-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
CID 104586482
5-methoxy-N-[(4-methyloxan-4-yl)methyl]pentan-1-amine
CID 104586141
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 104586770
sodium (4-methyloxan-4-yl)methanesulfinate
CID 165449192
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 114125910
2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 104586315
1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743599
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104954515

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 104586321) is 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine is CCS(=O)CCNCC1(C)CCOCC1.
What is the InChIKey of 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is GARQYYPZWBNIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-15(13)9-6-12-10-11(2)4-7-14-8-5-11/h12H,3-10H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine has a molecular weight of 233.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 104586321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).