N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide

C10H15F3N4O2S — CID 64857528

IUPACN-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C10H15F3N4O2S/c1-20(18,19)15-4-5-17-8-2-3-14-6-7(8)16-9(17)10(11,12)13/h14-15H,2-6H2,1H3
InChIKeyHAYARYQYTUZQRH-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.10
Rot. Bonds4

About N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide

N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide (PubChem CID 64857528) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide
PubChem CID64857528
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C10H15F3N4O2S/c1-20(18,19)15-4-5-17-8-2-3-14-6-7(8)16-9(17)10(11,12)13/h14-15H,2-6H2,1H3
InChIKeyHAYARYQYTUZQRH-UHFFFAOYSA-N
XLogP0.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide (CID 64857528) is N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide?
The InChIKey is HAYARYQYTUZQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-20(18,19)15-4-5-17-8-2-3-14-6-7(8)16-9(17)10(11,12)13/h14-15H,2-6H2,1H3.
What are the key properties of N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide?
N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide has a molecular weight of 312.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 64857528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).