2-methylpropane;pyridine-2-sulfonic acid

C9H15NO3S — CID 174713168

IUPAC2-methylpropane;pyridine-2-sulfonic acid
SMILESCC(C)C.O=S(=O)(O)c1ccccn1
InChIInChI=1S/C5H5NO3S.C4H10/c7-10(8,9)5-3-1-2-4-6-5;1-4(2)3/h1-4H,(H,7,8,9);4H,1-3H3
InChIKeyNFHVIESXLISLIH-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.99
Rot. Bonds1

About 2-methylpropane;pyridine-2-sulfonic acid

2-methylpropane;pyridine-2-sulfonic acid (PubChem CID 174713168) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-methylpropane;pyridine-2-sulfonic acid.

Molecular Properties

Compound Name2-methylpropane;pyridine-2-sulfonic acid
PubChem CID174713168
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2-methylpropane;pyridine-2-sulfonic acid
SMILESCC(C)C.O=S(=O)(O)c1ccccn1
InChIInChI=1S/C5H5NO3S.C4H10/c7-10(8,9)5-3-1-2-4-6-5;1-4(2)3/h1-4H,(H,7,8,9);4H,1-3H3
InChIKeyNFHVIESXLISLIH-UHFFFAOYSA-N
XLogP1.99
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-pyridin-2-ylpyridine-2-sulfonic acid
CID 15219955
2-(1-fluoro-2-methylpropyl)sulfonylpyridine
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2-(tribromomethylsulfonyl)pyridine
CID 159318212
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
dipyridin-2-ylmethanesulfonic acid
CID 11569476
2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
CID 102521515
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
CID 175476137
CID 175476137
2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
CID 56617000
2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid
CID 70436230

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;pyridine-2-sulfonic acid?
The IUPAC name of 2-methylpropane;pyridine-2-sulfonic acid (CID 174713168) is 2-methylpropane;pyridine-2-sulfonic acid.
What is the SMILES notation for 2-methylpropane;pyridine-2-sulfonic acid?
The canonical SMILES for 2-methylpropane;pyridine-2-sulfonic acid is CC(C)C.O=S(=O)(O)c1ccccn1.
What is the InChIKey of 2-methylpropane;pyridine-2-sulfonic acid?
The InChIKey is NFHVIESXLISLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S.C4H10/c7-10(8,9)5-3-1-2-4-6-5;1-4(2)3/h1-4H,(H,7,8,9);4H,1-3H3.
What are the key properties of 2-methylpropane;pyridine-2-sulfonic acid?
2-methylpropane;pyridine-2-sulfonic acid has a molecular weight of 217.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;pyridine-2-sulfonic acid is sourced from PubChem (CID 174713168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).