ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate

C12H15N3O6S2 — CID 131732205

IUPACethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C12H15N3O6S2/c1-4-21-12(16)10-8-14-7-9(5-6-11(14)13-10)15(22(2,17)18)23(3,19)20/h5-8H,4H2,1-3H3
InChIKeyTYJPSCOSVTYUDU-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.24
Rot. Bonds5

About ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 131732205) has the molecular formula C12H15N3O6S2 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID131732205
Molecular FormulaC12H15N3O6S2
Molecular Weight361.40 g/mol
Exact Mass361.04
IUPAC Nameethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C12H15N3O6S2/c1-4-21-12(16)10-8-14-7-9(5-6-11(14)13-10)15(22(2,17)18)23(3,19)20/h5-8H,4H2,1-3H3
InChIKeyTYJPSCOSVTYUDU-UHFFFAOYSA-N
XLogP0.24
TPSA115.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethoxycarbonyl-6-[methylsulfonylmethyl(sulfino)amino]imidazo[1,2-a]pyridine
CID 86714639
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-(methylsulfonylmethylsulfonylamino)imidazo[1,2-a]pyridine-2-carboxylate
CID 89157758
ethyl 6-[(1R)-1-methoxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 156793535
ethyl 6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 154664779
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 167350393
ethyl 3-bromo-2-oxopropanoate;ethyl 6-formylimidazo[1,2-a]pyridine-2-carboxylate
CID 159035617
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 42878543

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate (CID 131732205) is ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc2n1.
What is the InChIKey of ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is TYJPSCOSVTYUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6S2/c1-4-21-12(16)10-8-14-7-9(5-6-11(14)13-10)15(22(2,17)18)23(3,19)20/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 131732205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).