2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine

C4H14N2O2S — CID 142529660

IUPAC2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine
SMILESCCNCCS(N)(O)O
InChIInChI=1S/C4H14N2O2S/c1-2-6-3-4-9(5,7)8/h6-8H,2-5H2,1H3
InChIKeyWYGLCCOYDLWJOC-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.22
Rot. Bonds4

About 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine

2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine (PubChem CID 142529660) has the molecular formula C4H14N2O2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine
PubChem CID142529660
Molecular FormulaC4H14N2O2S
Molecular Weight154.24 g/mol
Exact Mass154.08
IUPAC Name2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine
SMILESCCNCCS(N)(O)O
InChIInChI=1S/C4H14N2O2S/c1-2-6-3-4-9(5,7)8/h6-8H,2-5H2,1H3
InChIKeyWYGLCCOYDLWJOC-UHFFFAOYSA-N
XLogP0.22
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[amino(dihydroxy)-lambda4-sulfanyl]-N-methylethanamine
CID 142366014
N-ethyl-3-hydroxysulfanylpropan-1-amine
CID 143236217
2-[dihydroxy(methyl)-lambda4-sulfanyl]-N-methylethanamine
CID 143254270
2-[Dihydroxy(methylamino)-lambda4-sulfanyl]ethanamine;ethane
CID 144965893
2-[dihydroxy(methylamino)-lambda4-sulfanyl]-N,N-dimethylethanamine;ethane
CID 144965918
2-[Dimethylamino(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 145135290
ethane;N-methyl-2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 164925277
2-[Amino(dihydroxy)-lambda4-sulfanyl]ethanamine;ethane
CID 169235442
N-[azetidin-3-yl(dihydroxy)-lambda4-sulfanyl]-N-methylmethanamine
CID 170567653
N-methyl-3-(trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 176945332
N-[2-[amino(dihydroxy)-lambda4-sulfanyl]ethyl]propan-2-amine
CID 178725086
Potassium 2-[dimethylamino(dihydroxy)-lambda4-sulfanyl]ethylazanide
CID 178802330

Frequently Asked Questions

What is the IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine?
The IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine (CID 142529660) is 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine.
What is the SMILES notation for 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine?
The canonical SMILES for 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine is CCNCCS(N)(O)O.
What is the InChIKey of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine?
The InChIKey is WYGLCCOYDLWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N2O2S/c1-2-6-3-4-9(5,7)8/h6-8H,2-5H2,1H3.
What are the key properties of 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine?
2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine has a molecular weight of 154.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(dihydroxy)-λ4-sulfanyl]-N-ethylethanamine is sourced from PubChem (CID 142529660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).