2-ethylsulfonyl-2-methoxyethanamine

C5H13NO3S — CID 57318629

IUPAC2-ethylsulfonyl-2-methoxyethanamine
SMILESCCS(=O)(=O)C(CN)OC
InChIInChI=1S/C5H13NO3S/c1-3-10(7,8)5(4-6)9-2/h5H,3-4,6H2,1-2H3
InChIKeyKEPBJYLOTMAFGK-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.65
Rot. Bonds4

About 2-ethylsulfonyl-2-methoxyethanamine

2-ethylsulfonyl-2-methoxyethanamine (PubChem CID 57318629) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-ethylsulfonyl-2-methoxyethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-2-methoxyethanamine
PubChem CID57318629
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2-ethylsulfonyl-2-methoxyethanamine
SMILESCCS(=O)(=O)C(CN)OC
InChIInChI=1S/C5H13NO3S/c1-3-10(7,8)5(4-6)9-2/h5H,3-4,6H2,1-2H3
InChIKeyKEPBJYLOTMAFGK-UHFFFAOYSA-N
XLogP-0.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-ethylsulfonylethanol
CID 117037412
1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane
CID 87183029
methyl 2-ethylsulfonylbutanoate
CID 117037767
2-amino-1-hydroperoxyethanesulfonic acid
CID 164577721
methyl 2-ethylsulfonyl-3-methylbutanoate
CID 117037776
1-methoxypropane-1-sulfonate;pyrrolidin-1-ium
CID 141103032
(2R)-2-methylsulfonylpropan-1-amine
CID 87577997
(2S)-2-methoxybutan-1-amine
CID 42427147
2-propylsulfonylpropan-1-amine
CID 64697615
3-amino-2-methoxy-N-propylsulfonylpropanamide
CID 106114069
1-amino-N-(2-methoxypropyl)butane-2-sulfonamide
CID 102697729
1-ethylsulfonylethane;methoxymethane
CID 174793539

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-2-methoxyethanamine?
The IUPAC name of 2-ethylsulfonyl-2-methoxyethanamine (CID 57318629) is 2-ethylsulfonyl-2-methoxyethanamine.
What is the SMILES notation for 2-ethylsulfonyl-2-methoxyethanamine?
The canonical SMILES for 2-ethylsulfonyl-2-methoxyethanamine is CCS(=O)(=O)C(CN)OC.
What is the InChIKey of 2-ethylsulfonyl-2-methoxyethanamine?
The InChIKey is KEPBJYLOTMAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-10(7,8)5(4-6)9-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-2-methoxyethanamine?
2-ethylsulfonyl-2-methoxyethanamine has a molecular weight of 167.23 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-2-methoxyethanamine is sourced from PubChem (CID 57318629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).