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

C12H16F3N3O2S — CID 129005369

IUPACN-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCc2nc(C(F)(F)F)cn2C1)C1CC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)10-7-18-6-8(1-4-11(18)17-10)5-16-21(19,20)9-2-3-9/h7-9,16H,1-6H2
InChIKeyOLDAFINYBHGSPF-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.55
Rot. Bonds4

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

N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide (PubChem CID 129005369) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide
PubChem CID129005369
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC NameN-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCc2nc(C(F)(F)F)cn2C1)C1CC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)10-7-18-6-8(1-4-11(18)17-10)5-16-21(19,20)9-2-3-9/h7-9,16H,1-6H2
InChIKeyOLDAFINYBHGSPF-UHFFFAOYSA-N
XLogP1.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide (CID 129005369) is N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1CCc2nc(C(F)(F)F)cn2C1)C1CC1.
What is the InChIKey of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide?
The InChIKey is OLDAFINYBHGSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)10-7-18-6-8(1-4-11(18)17-10)5-16-21(19,20)9-2-3-9/h7-9,16H,1-6H2.
What are the key properties of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide?
N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide has a molecular weight of 323.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 129005369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).