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

C3H11NO2S — CID 143891852

IUPAC2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
SMILESCS(O)(O)CCN
InChIInChI=1S/C3H11NO2S/c1-7(5,6)3-2-4/h5-6H,2-4H2,1H3
InChIKeyUPVRECHRKLCWGI-UHFFFAOYSA-N
MW125.19 g/mol
LogP0.33
Rot. Bonds2

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

2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine (PubChem CID 143891852) has the molecular formula C3H11NO2S and a molecular weight of 125.19 g/mol. Its IUPAC name is 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
PubChem CID143891852
Molecular FormulaC3H11NO2S
Molecular Weight125.19 g/mol
Exact Mass125.05
IUPAC Name2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
SMILESCS(O)(O)CCN
InChIInChI=1S/C3H11NO2S/c1-7(5,6)3-2-4/h5-6H,2-4H2,1H3
InChIKeyUPVRECHRKLCWGI-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
2-[dihydroxy(methyl)-lambda4-sulfanyl]-N-phosphanylethanamine
CID 142464949
2-[dihydroxy(methyl)-lambda4-sulfanyl]-N-methylethanamine
CID 143254270
3-(Trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 143992139
3-[Dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine
CID 143992140
2-[Hydroxy(dimethyl)-lambda4-sulfanyl]ethanamine
CID 144478018
2-[Dihydroxy(methylamino)-lambda4-sulfanyl]ethanamine
CID 144965894
2-[Ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 145047956
2-[Dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 145433907
2-(Amino-hydroxy-methyl-lambda4-sulfanyl)ethanamine
CID 153331956

Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
The IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine (CID 143891852) is 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
The canonical SMILES for 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine is CS(O)(O)CCN.
What is the InChIKey of 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
The InChIKey is UPVRECHRKLCWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO2S/c1-7(5,6)3-2-4/h5-6H,2-4H2,1H3.
What are the key properties of 2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
2-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine has a molecular weight of 125.19 g/mol, XLogP of 0.33, 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 is sourced from PubChem (CID 143891852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).