N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide

C11H20N4O3S — CID 106337202

IUPACN-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
SMILESCC(C)n1ccnc(NCCCNS(C)(=O)=O)c1=O
InChIInChI=1S/C11H20N4O3S/c1-9(2)15-8-7-13-10(11(15)16)12-5-4-6-14-19(3,17)18/h7-9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyILMVQFXIICLARH-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.18
Rot. Bonds7

About N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide

N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide (PubChem CID 106337202) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
PubChem CID106337202
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
SMILESCC(C)n1ccnc(NCCCNS(C)(=O)=O)c1=O
InChIInChI=1S/C11H20N4O3S/c1-9(2)15-8-7-13-10(11(15)16)12-5-4-6-14-19(3,17)18/h7-9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyILMVQFXIICLARH-UHFFFAOYSA-N
XLogP0.18
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62939874
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide
CID 104918847
3-[2-(2,2-difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide (CID 106337202) is N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide is CC(C)n1ccnc(NCCCNS(C)(=O)=O)c1=O.
What is the InChIKey of N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide?
The InChIKey is ILMVQFXIICLARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9(2)15-8-7-13-10(11(15)16)12-5-4-6-14-19(3,17)18/h7-9,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide?
N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106337202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).