2-but-3-ynylsulfonylpyridine

C9H9NO2S — CID 130666109

IUPAC2-but-3-ynylsulfonylpyridine
SMILESC#CCCS(=O)(=O)c1ccccn1
InChIInChI=1S/C9H9NO2S/c1-2-3-8-13(11,12)9-6-4-5-7-10-9/h1,4-7H,3,8H2
InChIKeyFYCTXBUITZDTAI-UHFFFAOYSA-N
MW195.24 g/mol
LogP0.88
Rot. Bonds3

About 2-but-3-ynylsulfonylpyridine

2-but-3-ynylsulfonylpyridine (PubChem CID 130666109) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-but-3-ynylsulfonylpyridine.

Molecular Properties

Compound Name2-but-3-ynylsulfonylpyridine
PubChem CID130666109
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name2-but-3-ynylsulfonylpyridine
SMILESC#CCCS(=O)(=O)c1ccccn1
InChIInChI=1S/C9H9NO2S/c1-2-3-8-13(11,12)9-6-4-5-7-10-9/h1,4-7H,3,8H2
InChIKeyFYCTXBUITZDTAI-UHFFFAOYSA-N
XLogP0.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
3-(1-Pyridinio)-1-propanesulfonate
CID 84929
2-Pyridinesulfonic acid
CID 94849
2-Phenylthiopyridine
CID 817760
Pyridine, 2-(methylthio)-
CID 29076
2-(Benzenesulfonyl)pyridine
CID 289829
2-(Methylsulfonyl)pyridine
CID 98667
Pyridine sulfonamide
CID 12000791
4-Methanesulfonylpyridine
CID 292487
Phenyl 2-pyridylmethyl sulfone
CID 3321062
4-(2-Propynylthio)pyridine-3-sulfonamide
CID 46907399
6-(Phenylsulfonyl)pyridine-3-sulfonamide
CID 819426

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynylsulfonylpyridine?
The IUPAC name of 2-but-3-ynylsulfonylpyridine (CID 130666109) is 2-but-3-ynylsulfonylpyridine.
What is the SMILES notation for 2-but-3-ynylsulfonylpyridine?
The canonical SMILES for 2-but-3-ynylsulfonylpyridine is C#CCCS(=O)(=O)c1ccccn1.
What is the InChIKey of 2-but-3-ynylsulfonylpyridine?
The InChIKey is FYCTXBUITZDTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-2-3-8-13(11,12)9-6-4-5-7-10-9/h1,4-7H,3,8H2.
What are the key properties of 2-but-3-ynylsulfonylpyridine?
2-but-3-ynylsulfonylpyridine has a molecular weight of 195.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynylsulfonylpyridine is sourced from PubChem (CID 130666109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).