2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid

C3H9NO4S — CID 144966029

IUPAC2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid
SMILESCNS(O)(O)CC(=O)O
InChIInChI=1S/C3H9NO4S/c1-4-9(7,8)2-3(5)6/h4,7-8H,2H2,1H3,(H,5,6)
InChIKeyVNNQXGLHXZDCOS-UHFFFAOYSA-N
MW155.17 g/mol
LogP-0.04
Rot. Bonds3

About 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid

2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid (PubChem CID 144966029) has the molecular formula C3H9NO4S and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid
PubChem CID144966029
Molecular FormulaC3H9NO4S
Molecular Weight155.17 g/mol
Exact Mass155.03
IUPAC Name2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid
SMILESCNS(O)(O)CC(=O)O
InChIInChI=1S/C3H9NO4S/c1-4-9(7,8)2-3(5)6/h4,7-8H,2H2,1H3,(H,5,6)
InChIKeyVNNQXGLHXZDCOS-UHFFFAOYSA-N
XLogP-0.04
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-sulfoacetic acid
CID 87201731
azane;2-sulfoacetic acid
CID 131882326
disodium;hydride;2-sulfoacetic acid
CID 173199775
2-hydroxysulfonothioylacetic acid
CID 88834268
N-[dihydroxy(propyl)-λ4-sulfanyl]methanamine;ethane
CID 156889407
acetic acid;methanesulfonic acid;propanoic acid
CID 87710299
methanol;propanedioic acid
CID 87156965
dodecane;2-sulfoacetic acid
CID 160755350
N-methyl-2-methylsulfonylacetamide
CID 58808409
2-(bromo-ethyl-methyl-λ4-sulfanyl)acetic acid
CID 162394527
2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43375017
carbonic acid;N-methylmethanamine
CID 173471204

Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid?
The IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid (CID 144966029) is 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid.
What is the SMILES notation for 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid?
The canonical SMILES for 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid is CNS(O)(O)CC(=O)O.
What is the InChIKey of 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid?
The InChIKey is VNNQXGLHXZDCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO4S/c1-4-9(7,8)2-3(5)6/h4,7-8H,2H2,1H3,(H,5,6).
What are the key properties of 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid?
2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid has a molecular weight of 155.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid is sourced from PubChem (CID 144966029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).