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

C5H17NO2S — CID 145433907

IUPAC2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.CS(O)(O)CCN
InChIInChI=1S/C3H11NO2S.C2H6/c1-7(5,6)3-2-4;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyDUXNRSJRTWJTBS-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.35
Rot. Bonds2

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

2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane (PubChem CID 145433907) has the molecular formula C5H17NO2S and a molecular weight of 155.26 g/mol. Its IUPAC name is 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane.

Molecular Properties

Compound Name2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane
PubChem CID145433907
Molecular FormulaC5H17NO2S
Molecular Weight155.26 g/mol
Exact Mass155.10
IUPAC Name2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.CS(O)(O)CCN
InChIInChI=1S/C3H11NO2S.C2H6/c1-7(5,6)3-2-4;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyDUXNRSJRTWJTBS-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[dihydroxy(methyl)-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-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
The IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane (CID 145433907) is 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane.
What is the SMILES notation for 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
The canonical SMILES for 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane is CC.CS(O)(O)CCN.
What is the InChIKey of 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
The InChIKey is DUXNRSJRTWJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO2S.C2H6/c1-7(5,6)3-2-4;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane has a molecular weight of 155.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane is sourced from PubChem (CID 145433907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).