2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane

C4H16N2O2S — CID 169235442

IUPAC2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.NCCS(N)(O)O
InChIInChI=1S/C2H10N2O2S.C2H6/c3-1-2-7(4,5)6;1-2/h5-6H,1-4H2;1-2H3
InChIKeyPDZWDDZCNYCWKT-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.60
Rot. Bonds2

About 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane

2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane (PubChem CID 169235442) has the molecular formula C4H16N2O2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane.

Molecular Properties

Compound Name2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane
PubChem CID169235442
Molecular FormulaC4H16N2O2S
Molecular Weight156.25 g/mol
Exact Mass156.09
IUPAC Name2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.NCCS(N)(O)O
InChIInChI=1S/C2H10N2O2S.C2H6/c3-1-2-7(4,5)6;1-2/h5-6H,1-4H2;1-2H3
InChIKeyPDZWDDZCNYCWKT-UHFFFAOYSA-N
XLogP0.60
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane?
The IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane (CID 169235442) is 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane.
What is the SMILES notation for 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane?
The canonical SMILES for 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane is CC.NCCS(N)(O)O.
What is the InChIKey of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane?
The InChIKey is PDZWDDZCNYCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10N2O2S.C2H6/c3-1-2-7(4,5)6;1-2/h5-6H,1-4H2;1-2H3.
What are the key properties of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane?
2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine;ethane has a molecular weight of 156.25 g/mol, XLogP of 0.60, 2 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]ethanamine;ethane is sourced from PubChem (CID 169235442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).