N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide

C14H20N4O3S — CID 4912360

IUPACN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
SMILESCOCCN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1
InChIInChI=1S/C14H20N4O3S/c1-21-8-7-17-5-6-18-13-4-3-11(16-22(2,19)20)9-12(13)15-14(18)10-17/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyAGJZBDMPURJFQI-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide

N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide (PubChem CID 4912360) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
PubChem CID4912360
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
SMILESCOCCN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1
InChIInChI=1S/C14H20N4O3S/c1-21-8-7-17-5-6-18-13-4-3-11(16-22(2,19)20)9-12(13)15-14(18)10-17/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyAGJZBDMPURJFQI-UHFFFAOYSA-N
XLogP0.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
The IUPAC name of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide (CID 4912360) is N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide is COCCN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1.
What is the InChIKey of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
The InChIKey is AGJZBDMPURJFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-21-8-7-17-5-6-18-13-4-3-11(16-22(2,19)20)9-12(13)15-14(18)10-17/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide is sourced from PubChem (CID 4912360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).