N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide

C14H23F3N4O2S — CID 128984967

IUPACN-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide
SMILESCN(CCCNS(C)(=O)=O)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H23F3N4O2S/c1-20(7-3-6-18-24(2,22)23)8-11-4-5-13-19-12(14(15,16)17)10-21(13)9-11/h10-11,18H,3-9H2,1-2H3
InChIKeyNNFIAOZARVDVTD-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.34
Rot. Bonds7

About N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide

N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide (PubChem CID 128984967) has the molecular formula C14H23F3N4O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide
PubChem CID128984967
Molecular FormulaC14H23F3N4O2S
Molecular Weight368.43 g/mol
Exact Mass368.15
IUPAC NameN-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide
SMILESCN(CCCNS(C)(=O)=O)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H23F3N4O2S/c1-20(7-3-6-18-24(2,22)23)8-11-4-5-13-19-12(14(15,16)17)10-21(13)9-11/h10-11,18H,3-9H2,1-2H3
InChIKeyNNFIAOZARVDVTD-UHFFFAOYSA-N
XLogP1.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide (CID 128984967) is N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide is CN(CCCNS(C)(=O)=O)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide?
The InChIKey is NNFIAOZARVDVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O2S/c1-20(7-3-6-18-24(2,22)23)8-11-4-5-13-19-12(14(15,16)17)10-21(13)9-11/h10-11,18H,3-9H2,1-2H3.
What are the key properties of N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide?
N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide has a molecular weight of 368.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 128984967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).