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

C13H24N4O2S — CID 64857141

IUPACN-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide
SMILESCC(C)(C)c1nc2c(n1CCNS(C)(=O)=O)CCNC2
InChIInChI=1S/C13H24N4O2S/c1-13(2,3)12-16-10-9-14-6-5-11(10)17(12)8-7-15-20(4,18)19/h14-15H,5-9H2,1-4H3
InChIKeyJDQYMRIBFFQBOW-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.38
Rot. Bonds4

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

N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide (PubChem CID 64857141) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide
PubChem CID64857141
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide
SMILESCC(C)(C)c1nc2c(n1CCNS(C)(=O)=O)CCNC2
InChIInChI=1S/C13H24N4O2S/c1-13(2,3)12-16-10-9-14-6-5-11(10)17(12)8-7-15-20(4,18)19/h14-15H,5-9H2,1-4H3
InChIKeyJDQYMRIBFFQBOW-UHFFFAOYSA-N
XLogP0.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide (CID 64857141) is N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide is CC(C)(C)c1nc2c(n1CCNS(C)(=O)=O)CCNC2.
What is the InChIKey of N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
The InChIKey is JDQYMRIBFFQBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-13(2,3)12-16-10-9-14-6-5-11(10)17(12)8-7-15-20(4,18)19/h14-15H,5-9H2,1-4H3.
What are the key properties of N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide?
N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 64857141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).