2-ethylsulfonyl-N-methylethanamine

C5H13NO2S — CID 14677075

IUPAC2-ethylsulfonyl-N-methylethanamine
SMILESCCS(=O)(=O)CCNC
InChIInChI=1S/C5H13NO2S/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3
InChIKeyWJOGIHFXCMFNRM-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.36
Rot. Bonds4

About 2-ethylsulfonyl-N-methylethanamine

2-ethylsulfonyl-N-methylethanamine (PubChem CID 14677075) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methylethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methylethanamine
PubChem CID14677075
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-ethylsulfonyl-N-methylethanamine
SMILESCCS(=O)(=O)CCNC
InChIInChI=1S/C5H13NO2S/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3
InChIKeyWJOGIHFXCMFNRM-UHFFFAOYSA-N
XLogP-0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-methylethanamine?
The IUPAC name of 2-ethylsulfonyl-N-methylethanamine (CID 14677075) is 2-ethylsulfonyl-N-methylethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-methylethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-methylethanamine is CCS(=O)(=O)CCNC.
What is the InChIKey of 2-ethylsulfonyl-N-methylethanamine?
The InChIKey is WJOGIHFXCMFNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-methylethanamine?
2-ethylsulfonyl-N-methylethanamine has a molecular weight of 151.23 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methylethanamine is sourced from PubChem (CID 14677075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).