2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide

C12H18N4O2S2 — CID 63961435

IUPAC2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)NCCCSC
InChIInChI=1S/C12H18N4O2S2/c1-13-11-12(16-8-4-3-6-10(16)15-11)20(17,18)14-7-5-9-19-2/h3-4,6,8,13-14H,5,7,9H2,1-2H3
InChIKeyBQDQVLIVPLORFQ-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.41
Rot. Bonds7

About 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide

2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 63961435) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID63961435
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)NCCCSC
InChIInChI=1S/C12H18N4O2S2/c1-13-11-12(16-8-4-3-6-10(16)15-11)20(17,18)14-7-5-9-19-2/h3-4,6,8,13-14H,5,7,9H2,1-2H3
InChIKeyBQDQVLIVPLORFQ-UHFFFAOYSA-N
XLogP1.41
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-propylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62150171
6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63962711
2-[[2-(methylamino)imidazo[1,2-a]pyridin-3-yl]sulfonylamino]ethyl carbamate
CID 83206171
N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 64583151
N-propyl-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62150339
N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 115987178
2-hydrazinyl-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60814826
N-cyclopentyl-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62148474
N-[2-(dimethylamino)ethyl]-2-(ethylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62148649
2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 104762785
N-(4-methoxybutan-2-yl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 64605334
N-(1-cyclopropylpropan-2-yl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63996392

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 63961435) is 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide is CNc1nc2ccccn2c1S(=O)(=O)NCCCSC.
What is the InChIKey of 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is BQDQVLIVPLORFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-13-11-12(16-8-4-3-6-10(16)15-11)20(17,18)14-7-5-9-19-2/h3-4,6,8,13-14H,5,7,9H2,1-2H3.
What are the key properties of 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 63961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).