N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide

C12H16N4O2S — CID 70739138

IUPACN-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
SMILESCN(CCn1ccnc1-c1ccccn1)S(C)(=O)=O
InChIInChI=1S/C12H16N4O2S/c1-15(19(2,17)18)9-10-16-8-7-14-12(16)11-5-3-4-6-13-11/h3-8H,9-10H2,1-2H3
InChIKeyZCAHXSAGXKUBHB-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.84
Rot. Bonds5

About N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide

N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide (PubChem CID 70739138) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
PubChem CID70739138
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
SMILESCN(CCn1ccnc1-c1ccccn1)S(C)(=O)=O
InChIInChI=1S/C12H16N4O2S/c1-15(19(2,17)18)9-10-16-8-7-14-12(16)11-5-3-4-6-13-11/h3-8H,9-10H2,1-2H3
InChIKeyZCAHXSAGXKUBHB-UHFFFAOYSA-N
XLogP0.84
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide (CID 70739138) is N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide is CN(CCn1ccnc1-c1ccccn1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is ZCAHXSAGXKUBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15(19(2,17)18)9-10-16-8-7-14-12(16)11-5-3-4-6-13-11/h3-8H,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 70739138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).