2,2-dihydroxypropane-1-sulfonic acid

C3H8O5S — CID 141290774

IUPAC2,2-dihydroxypropane-1-sulfonic acid
SMILESCC(O)(O)CS(=O)(=O)O
InChIInChI=1S/C3H8O5S/c1-3(4,5)2-9(6,7)8/h4-5H,2H2,1H3,(H,6,7,8)
InChIKeyNQJNCJVOGIGRAQ-UHFFFAOYSA-N
MW156.16 g/mol
LogP-1.42
Rot. Bonds2

About 2,2-dihydroxypropane-1-sulfonic acid

2,2-dihydroxypropane-1-sulfonic acid (PubChem CID 141290774) has the molecular formula C3H8O5S and a molecular weight of 156.16 g/mol. Its IUPAC name is 2,2-dihydroxypropane-1-sulfonic acid.

Molecular Properties

Compound Name2,2-dihydroxypropane-1-sulfonic acid
PubChem CID141290774
Molecular FormulaC3H8O5S
Molecular Weight156.16 g/mol
Exact Mass156.01
IUPAC Name2,2-dihydroxypropane-1-sulfonic acid
SMILESCC(O)(O)CS(=O)(=O)O
InChIInChI=1S/C3H8O5S/c1-3(4,5)2-9(6,7)8/h4-5H,2H2,1H3,(H,6,7,8)
InChIKeyNQJNCJVOGIGRAQ-UHFFFAOYSA-N
XLogP-1.42
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2-methoxy-2-methylpropane-1-sulfonic acid
CID 22636946
trimethyl-(2-methyl-1-sulfopropan-2-yl)azanium
CID 158986858
2-methyl-2-sulfinopropane-1,3-disulfonic acid
CID 88654802
2-(diiodoamino)-2-methylpropane-1-sulfonic acid
CID 138539533
2-(dichloroamino)-2-methylpropane-1-sulfonic acid
CID 11708365
4-amino-2,2-dimethylbutane-1-sulfonic acid
CID 155264167
2-[bromo(chloro)amino]-2-methylpropane-1-sulfonic acid
CID 44814599
ethane-1,1,1,2-tetrasulfonic acid
CID 22184362
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
3-methoxy-2,2-dimethyl-3-oxopropane-1-sulfonic acid
CID 117059672

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxypropane-1-sulfonic acid?
The IUPAC name of 2,2-dihydroxypropane-1-sulfonic acid (CID 141290774) is 2,2-dihydroxypropane-1-sulfonic acid.
What is the SMILES notation for 2,2-dihydroxypropane-1-sulfonic acid?
The canonical SMILES for 2,2-dihydroxypropane-1-sulfonic acid is CC(O)(O)CS(=O)(=O)O.
What is the InChIKey of 2,2-dihydroxypropane-1-sulfonic acid?
The InChIKey is NQJNCJVOGIGRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5S/c1-3(4,5)2-9(6,7)8/h4-5H,2H2,1H3,(H,6,7,8).
What are the key properties of 2,2-dihydroxypropane-1-sulfonic acid?
2,2-dihydroxypropane-1-sulfonic acid has a molecular weight of 156.16 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxypropane-1-sulfonic acid is sourced from PubChem (CID 141290774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).