ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate

C12H15N3O6S2 — CID 89157758

IUPACethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(NS(=O)(=O)CS(C)(=O)=O)ccc2n1
InChIInChI=1S/C12H15N3O6S2/c1-3-21-12(16)10-7-15-6-9(4-5-11(15)13-10)14-23(19,20)8-22(2,17)18/h4-7,14H,3,8H2,1-2H3
InChIKeyXFBZDEHACQOVLS-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.25
Rot. Bonds6

About ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 89157758) has the molecular formula C12H15N3O6S2 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID89157758
Molecular FormulaC12H15N3O6S2
Molecular Weight361.40 g/mol
Exact Mass361.04
IUPAC Nameethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(NS(=O)(=O)CS(C)(=O)=O)ccc2n1
InChIInChI=1S/C12H15N3O6S2/c1-3-21-12(16)10-7-15-6-9(4-5-11(15)13-10)14-23(19,20)8-22(2,17)18/h4-7,14H,3,8H2,1-2H3
InChIKeyXFBZDEHACQOVLS-UHFFFAOYSA-N
XLogP0.25
TPSA123.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 154664779
2-ethoxycarbonyl-6-[methylsulfonylmethyl(sulfino)amino]imidazo[1,2-a]pyridine
CID 86714639
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 10929529
ethyl 6-[(1R)-1-methoxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 156793535
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 3-bromo-2-oxopropanoate;ethyl 6-formylimidazo[1,2-a]pyridine-2-carboxylate
CID 159035617
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate (CID 89157758) is ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(NS(=O)(=O)CS(C)(=O)=O)ccc2n1.
What is the InChIKey of ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XFBZDEHACQOVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6S2/c1-3-21-12(16)10-7-15-6-9(4-5-11(15)13-10)14-23(19,20)8-22(2,17)18/h4-7,14H,3,8H2,1-2H3.
What are the key properties of ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 89157758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).