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

C13H20F3N3O3S — CID 128997251

IUPAC1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
SMILESCOCC(C)S(=O)(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C13H20F3N3O3S/c1-9(8-22-2)23(20,21)17-5-10-3-4-12-18-11(13(14,15)16)7-19(12)6-10/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeySOMNANLCANFLPZ-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.42
Rot. Bonds6

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

1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide (PubChem CID 128997251) has the molecular formula C13H20F3N3O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
PubChem CID128997251
Molecular FormulaC13H20F3N3O3S
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC Name1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
SMILESCOCC(C)S(=O)(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C13H20F3N3O3S/c1-9(8-22-2)23(20,21)17-5-10-3-4-12-18-11(13(14,15)16)7-19(12)6-10/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeySOMNANLCANFLPZ-UHFFFAOYSA-N
XLogP1.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
The IUPAC name of 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide (CID 128997251) is 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide is COCC(C)S(=O)(=O)NCC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
The InChIKey is SOMNANLCANFLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3S/c1-9(8-22-2)23(20,21)17-5-10-3-4-12-18-11(13(14,15)16)7-19(12)6-10/h7,9-10,17H,3-6,8H2,1-2H3.
What are the key properties of 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide has a molecular weight of 355.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 128997251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).