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

C11H20N4O2S — CID 64857139

IUPACN-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide
SMILESCCc1nc2c(n1CCNS(C)(=O)=O)CCNC2
InChIInChI=1S/C11H20N4O2S/c1-3-11-14-9-8-12-5-4-10(9)15(11)7-6-13-18(2,16)17/h12-13H,3-8H2,1-2H3
InChIKeyAUXKBXDWYPKJQB-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.36
Rot. Bonds5

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

N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide (PubChem CID 64857139) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide
PubChem CID64857139
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide
SMILESCCc1nc2c(n1CCNS(C)(=O)=O)CCNC2
InChIInChI=1S/C11H20N4O2S/c1-3-11-14-9-8-12-5-4-10(9)15(11)7-6-13-18(2,16)17/h12-13H,3-8H2,1-2H3
InChIKeyAUXKBXDWYPKJQB-UHFFFAOYSA-N
XLogP-0.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide (CID 64857139) is N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide is CCc1nc2c(n1CCNS(C)(=O)=O)CCNC2.
What is the InChIKey of N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
The InChIKey is AUXKBXDWYPKJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-11-14-9-8-12-5-4-10(9)15(11)7-6-13-18(2,16)17/h12-13H,3-8H2,1-2H3.
What are the key properties of N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 64857139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).