(1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine

C13H17F2N3O2S — CID 68555465

IUPAC(1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCN[C@H](C)c1cn2cc(F)cc(F)c2n1
InChIInChI=1S/C13H17F2N3O2S/c1-3-21(19,20)5-4-16-9(2)12-8-18-7-10(14)6-11(15)13(18)17-12/h6-9,16H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyCPEHQRDLSBUVMG-SECBINFHSA-N
MW317.36 g/mol
LogP1.70
Rot. Bonds6

About (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine

(1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine (PubChem CID 68555465) has the molecular formula C13H17F2N3O2S and a molecular weight of 317.36 g/mol. Its IUPAC name is (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine
PubChem CID68555465
Molecular FormulaC13H17F2N3O2S
Molecular Weight317.36 g/mol
Exact Mass317.10
IUPAC Name(1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCN[C@H](C)c1cn2cc(F)cc(F)c2n1
InChIInChI=1S/C13H17F2N3O2S/c1-3-21(19,20)5-4-16-9(2)12-8-18-7-10(14)6-11(15)13(18)17-12/h6-9,16H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyCPEHQRDLSBUVMG-SECBINFHSA-N
XLogP1.70
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine?
The IUPAC name of (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine (CID 68555465) is (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine?
The canonical SMILES for (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine is CCS(=O)(=O)CCN[C@H](C)c1cn2cc(F)cc(F)c2n1.
What is the InChIKey of (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine?
The InChIKey is CPEHQRDLSBUVMG-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F2N3O2S/c1-3-21(19,20)5-4-16-9(2)12-8-18-7-10(14)6-11(15)13(18)17-12/h6-9,16H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine?
(1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine has a molecular weight of 317.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)-N-(2-ethylsulfonylethyl)ethanamine is sourced from PubChem (CID 68555465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).