5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid

C7H10N2O3S — CID 75539559

IUPAC5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1cnc2n1CCCC2
InChIInChI=1S/C7H10N2O3S/c10-13(11,12)7-5-8-6-3-1-2-4-9(6)7/h5H,1-4H2,(H,10,11,12)
InChIKeyIQNHWGJYZGLXIX-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.47
Rot. Bonds1

About 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid

5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid (PubChem CID 75539559) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid
PubChem CID75539559
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1cnc2n1CCCC2
InChIInChI=1S/C7H10N2O3S/c10-13(11,12)7-5-8-6-3-1-2-4-9(6)7/h5H,1-4H2,(H,10,11,12)
InChIKeyIQNHWGJYZGLXIX-UHFFFAOYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidine-2-carboxylic acid
CID 129466930
(2R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidine-2-carboxylic acid
CID 129466929
N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
CID 166258261
2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine
CID 127914100
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
CID 126796932
8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylsulfonyl)-2,8-diazaspiro[4.5]decane
CID 136569876
N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 100627011
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbaldehyde
CID 26967189
(3R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120874470
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83827932
N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 86801011
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 136541036

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid (CID 75539559) is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid is O=S(=O)(O)c1cnc2n1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid?
The InChIKey is IQNHWGJYZGLXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-13(11,12)7-5-8-6-3-1-2-4-9(6)7/h5H,1-4H2,(H,10,11,12).
What are the key properties of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid?
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid has a molecular weight of 202.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid is sourced from PubChem (CID 75539559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).