2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide

C12H18F3N3O3S — CID 129335325

IUPAC2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C12H18F3N3O3S/c1-21-4-5-22(19,20)16-6-9-2-3-11-17-10(12(13,14)15)8-18(11)7-9/h8-9,16H,2-7H2,1H3/t9-/m0/s1
InChIKeyPAPHYQKQSIXDLQ-VIFPVBQESA-N
MW341.36 g/mol
LogP1.03
Rot. Bonds6

About 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide

2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide (PubChem CID 129335325) has the molecular formula C12H18F3N3O3S and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide
PubChem CID129335325
Molecular FormulaC12H18F3N3O3S
Molecular Weight341.36 g/mol
Exact Mass341.10
IUPAC Name2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C12H18F3N3O3S/c1-21-4-5-22(19,20)16-6-9-2-3-11-17-10(12(13,14)15)8-18(11)7-9/h8-9,16H,2-7H2,1H3/t9-/m0/s1
InChIKeyPAPHYQKQSIXDLQ-VIFPVBQESA-N
XLogP1.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide (CID 129335325) is 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide is COCCS(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide?
The InChIKey is PAPHYQKQSIXDLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18F3N3O3S/c1-21-4-5-22(19,20)16-6-9-2-3-11-17-10(12(13,14)15)8-18(11)7-9/h8-9,16H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide?
2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide has a molecular weight of 341.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 129335325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).