(2R)-butane-2-sulfonic acid

C4H10O3S — CID 46398806

IUPAC(2R)-butane-2-sulfonic acid
SMILESCC[C@@H](C)S(=O)(=O)O
InChIInChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/t4-/m1/s1
InChIKeyBRXCDHOLJPJLLT-SCSAIBSYSA-N
MW138.19 g/mol
LogP0.67
Rot. Bonds2

About (2R)-butane-2-sulfonic acid

(2R)-butane-2-sulfonic acid (PubChem CID 46398806) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is (2R)-butane-2-sulfonic acid.

Molecular Properties

Compound Name(2R)-butane-2-sulfonic acid
PubChem CID46398806
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name(2R)-butane-2-sulfonic acid
SMILESCC[C@@H](C)S(=O)(=O)O
InChIInChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/t4-/m1/s1
InChIKeyBRXCDHOLJPJLLT-SCSAIBSYSA-N
XLogP0.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87069248
CID 87069248
butane-2-sulfonic acid;ethane;N-ethylacetamide
CID 144515848
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
1-fluoropropane-2-sulfonic acid;hydrofluoride
CID 174429339
1-hydroxypropane-2-sulfonic acid;λ2-stannane
CID 175490512
(2R)-1-aminopropane-2-sulfonic acid
CID 55285188
sulfo butane-2-sulfonate
CID 175236017
tetradecane-2,13-disulfonic acid
CID 155491142
potassium 1-aminopropane-2-sulfonic acid
CID 23077128
oct-4-yne-2,7-disulfonic acid
CID 175043464
butane-2-sulfonic acid;2-methylbutane-1-sulfonic acid;4-methylhexane-1-sulfonic acid;3-methylpentane-1-sulfonic acid
CID 158385667
dodecane-2-sulfonic acid
CID 18963549

Frequently Asked Questions

What is the IUPAC name of (2R)-butane-2-sulfonic acid?
The IUPAC name of (2R)-butane-2-sulfonic acid (CID 46398806) is (2R)-butane-2-sulfonic acid.
What is the SMILES notation for (2R)-butane-2-sulfonic acid?
The canonical SMILES for (2R)-butane-2-sulfonic acid is CC[C@@H](C)S(=O)(=O)O.
What is the InChIKey of (2R)-butane-2-sulfonic acid?
The InChIKey is BRXCDHOLJPJLLT-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/t4-/m1/s1.
What are the key properties of (2R)-butane-2-sulfonic acid?
(2R)-butane-2-sulfonic acid has a molecular weight of 138.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-butane-2-sulfonic acid is sourced from PubChem (CID 46398806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).