2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine

C4H13NO2S — CID 145047956

IUPAC2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine
SMILESCCS(O)(O)CCN
InChIInChI=1S/C4H13NO2S/c1-2-8(6,7)4-3-5/h6-7H,2-5H2,1H3
InChIKeyIEOLECXHXWMVSS-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.72
Rot. Bonds3

About 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine

2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine (PubChem CID 145047956) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine
PubChem CID145047956
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC Name2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine
SMILESCCS(O)(O)CCN
InChIInChI=1S/C4H13NO2S/c1-2-8(6,7)4-3-5/h6-7H,2-5H2,1H3
InChIKeyIEOLECXHXWMVSS-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
The IUPAC name of 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine (CID 145047956) is 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
The canonical SMILES for 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine is CCS(O)(O)CCN.
What is the InChIKey of 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
The InChIKey is IEOLECXHXWMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S/c1-2-8(6,7)4-3-5/h6-7H,2-5H2,1H3.
What are the key properties of 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine has a molecular weight of 139.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine is sourced from PubChem (CID 145047956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).