methanesulfonic acid;2-pyridin-3-ylprop-2-enamide

C9H12N2O4S — CID 174863919

IUPACmethanesulfonic acid;2-pyridin-3-ylprop-2-enamide
SMILESC=C(C(N)=O)c1cccnc1.CS(=O)(=O)O
InChIInChI=1S/C8H8N2O.CH4O3S/c1-6(8(9)11)7-3-2-4-10-5-7;1-5(2,3)4/h2-5H,1H2,(H2,9,11);1H3,(H,2,3,4)
InChIKeyACGOCJHFXFFYCT-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.08
Rot. Bonds2

About methanesulfonic acid;2-pyridin-3-ylprop-2-enamide

methanesulfonic acid;2-pyridin-3-ylprop-2-enamide (PubChem CID 174863919) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methanesulfonic acid;2-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Namemethanesulfonic acid;2-pyridin-3-ylprop-2-enamide
PubChem CID174863919
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethanesulfonic acid;2-pyridin-3-ylprop-2-enamide
SMILESC=C(C(N)=O)c1cccnc1.CS(=O)(=O)O
InChIInChI=1S/C8H8N2O.CH4O3S/c1-6(8(9)11)7-3-2-4-10-5-7;1-5(2,3)4/h2-5H,1H2,(H2,9,11);1H3,(H,2,3,4)
InChIKeyACGOCJHFXFFYCT-UHFFFAOYSA-N
XLogP0.08
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-3-ylpent-1-en-3-one
CID 155931297
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
potassium;ethene;pyridine-3-carboxamide
CID 174767244
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
ethyl 3-(pyridine-3-carbonyl)but-3-enoate
CID 22457754
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-methylpyridine-3-carboxamide chloride
CID 20976730
oxalic acid;pyridine-3-carboxamide
CID 69110411

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-pyridin-3-ylprop-2-enamide?
The IUPAC name of methanesulfonic acid;2-pyridin-3-ylprop-2-enamide (CID 174863919) is methanesulfonic acid;2-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for methanesulfonic acid;2-pyridin-3-ylprop-2-enamide?
The canonical SMILES for methanesulfonic acid;2-pyridin-3-ylprop-2-enamide is C=C(C(N)=O)c1cccnc1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;2-pyridin-3-ylprop-2-enamide?
The InChIKey is ACGOCJHFXFFYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.CH4O3S/c1-6(8(9)11)7-3-2-4-10-5-7;1-5(2,3)4/h2-5H,1H2,(H2,9,11);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-pyridin-3-ylprop-2-enamide?
methanesulfonic acid;2-pyridin-3-ylprop-2-enamide has a molecular weight of 244.27 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 174863919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).