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

C14H20N4O2S — CID 50750495

IUPACN-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide
SMILESCC(C)N1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1
InChIInChI=1S/C14H20N4O2S/c1-10(2)17-6-7-18-13-5-4-11(16-21(3,19)20)8-12(13)15-14(18)9-17/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyFUMCFUAXHJMTKV-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.63
Rot. Bonds3

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

N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide (PubChem CID 50750495) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide
PubChem CID50750495
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide
SMILESCC(C)N1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1
InChIInChI=1S/C14H20N4O2S/c1-10(2)17-6-7-18-13-5-4-11(16-21(3,19)20)8-12(13)15-14(18)9-17/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyFUMCFUAXHJMTKV-UHFFFAOYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide with MolForge

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Related Compounds

Pf-05212377
CID 46203710
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
2-methyl-1-phenyl-1H-1,3-benzodiazol-5-amine
CID 3422185
1-methyl-1H-1,3-benzodiazol-5-amine
CID 315499
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
N-(2-((4-benzylpiperidin-1-yl)methyl)benzimidazol-5-yl)methanesulfonamide
CID 9822219
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]methanesulfonamide
CID 57441073
1-methyl-2-(piperazin-1-yl)-1H-benzo[d]imidazole
CID 667551
Cyclohexyl-(1-methyl-1H-benzoimidazol-2-ylmethyl)-amine
CID 797055
Oryzalin metabolite OR-14
CID 101913340
2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline
CID 104855

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide?
The IUPAC name of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide (CID 50750495) is N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide.
What is the SMILES notation for N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide?
The canonical SMILES for N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide is CC(C)N1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1.
What is the InChIKey of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide?
The InChIKey is FUMCFUAXHJMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10(2)17-6-7-18-13-5-4-11(16-21(3,19)20)8-12(13)15-14(18)9-17/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide?
N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide is sourced from PubChem (CID 50750495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).