2-hydroxy-2-methylpropane-1-sulfonic acid

C4H10O4S — CID 18457605

IUPAC2-hydroxy-2-methylpropane-1-sulfonic acid
SMILESCC(C)(O)CS(=O)(=O)O
InChIInChI=1S/C4H10O4S/c1-4(2,5)3-9(6,7)8/h5H,3H2,1-2H3,(H,6,7,8)
InChIKeyFYGCFQANVJVFIT-UHFFFAOYSA-N
MW154.19 g/mol
LogP-0.35
Rot. Bonds2

About 2-hydroxy-2-methylpropane-1-sulfonic acid

2-hydroxy-2-methylpropane-1-sulfonic acid (PubChem CID 18457605) has the molecular formula C4H10O4S and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-hydroxy-2-methylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-2-methylpropane-1-sulfonic acid
PubChem CID18457605
Molecular FormulaC4H10O4S
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Name2-hydroxy-2-methylpropane-1-sulfonic acid
SMILESCC(C)(O)CS(=O)(=O)O
InChIInChI=1S/C4H10O4S/c1-4(2,5)3-9(6,7)8/h5H,3H2,1-2H3,(H,6,7,8)
InChIKeyFYGCFQANVJVFIT-UHFFFAOYSA-N
XLogP-0.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
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
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride
CID 173043495
3-methoxy-2,2-dimethyl-3-oxopropane-1-sulfonic acid
CID 117059672

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylpropane-1-sulfonic acid?
The IUPAC name of 2-hydroxy-2-methylpropane-1-sulfonic acid (CID 18457605) is 2-hydroxy-2-methylpropane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-2-methylpropane-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-2-methylpropane-1-sulfonic acid is CC(C)(O)CS(=O)(=O)O.
What is the InChIKey of 2-hydroxy-2-methylpropane-1-sulfonic acid?
The InChIKey is FYGCFQANVJVFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S/c1-4(2,5)3-9(6,7)8/h5H,3H2,1-2H3,(H,6,7,8).
What are the key properties of 2-hydroxy-2-methylpropane-1-sulfonic acid?
2-hydroxy-2-methylpropane-1-sulfonic acid has a molecular weight of 154.19 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylpropane-1-sulfonic acid is sourced from PubChem (CID 18457605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).