N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide

C12H19N3O3S — CID 91909630

IUPACN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1Cn2cccc2C(=O)N1C
InChIInChI=1S/C12H19N3O3S/c1-3-7-19(17,18)13-8-10-9-15-6-4-5-11(15)12(16)14(10)2/h4-6,10,13H,3,7-9H2,1-2H3
InChIKeyFCDDYGRYLWYILW-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.27
Rot. Bonds5

About N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide

N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide (PubChem CID 91909630) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide
PubChem CID91909630
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1Cn2cccc2C(=O)N1C
InChIInChI=1S/C12H19N3O3S/c1-3-7-19(17,18)13-8-10-9-15-6-4-5-11(15)12(16)14(10)2/h4-6,10,13H,3,7-9H2,1-2H3
InChIKeyFCDDYGRYLWYILW-UHFFFAOYSA-N
XLogP0.27
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide (CID 91909630) is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1Cn2cccc2C(=O)N1C.
What is the InChIKey of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is FCDDYGRYLWYILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-7-19(17,18)13-8-10-9-15-6-4-5-11(15)12(16)14(10)2/h4-6,10,13H,3,7-9H2,1-2H3.
What are the key properties of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide?
N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 91909630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).