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

C14H16F3N3O3S2 — CID 129329774

IUPAC3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H16F3N3O3S2/c1-23-10-4-5-24-13(10)25(21,22)18-6-9-2-3-12-19-11(14(15,16)17)8-20(12)7-9/h4-5,8-9,18H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyGOPGAWKOZHMQAP-VIFPVBQESA-N
MW395.43 g/mol
LogP2.51
Rot. Bonds5

About 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide

3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide (PubChem CID 129329774) has the molecular formula C14H16F3N3O3S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide
PubChem CID129329774
Molecular FormulaC14H16F3N3O3S2
Molecular Weight395.43 g/mol
Exact Mass395.06
IUPAC Name3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H16F3N3O3S2/c1-23-10-4-5-24-13(10)25(21,22)18-6-9-2-3-12-19-11(14(15,16)17)8-20(12)7-9/h4-5,8-9,18H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyGOPGAWKOZHMQAP-VIFPVBQESA-N
XLogP2.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide (CID 129329774) is 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is GOPGAWKOZHMQAP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N3O3S2/c1-23-10-4-5-24-13(10)25(21,22)18-6-9-2-3-12-19-11(14(15,16)17)8-20(12)7-9/h4-5,8-9,18H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide?
3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 395.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 129329774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).