3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide

C10H18N4O3S — CID 62929851

IUPAC3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
SMILESCC(C)n1ccnc(NCCCS(N)(=O)=O)c1=O
InChIInChI=1S/C10H18N4O3S/c1-8(2)14-6-5-13-9(10(14)15)12-4-3-7-18(11,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H2,11,16,17)
InChIKeyQRWIBCODAUATLZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.09
Rot. Bonds6

About 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide

3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide (PubChem CID 62929851) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
PubChem CID62929851
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
SMILESCC(C)n1ccnc(NCCCS(N)(=O)=O)c1=O
InChIInChI=1S/C10H18N4O3S/c1-8(2)14-6-5-13-9(10(14)15)12-4-3-7-18(11,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H2,11,16,17)
InChIKeyQRWIBCODAUATLZ-UHFFFAOYSA-N
XLogP-0.09
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.09
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-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
CID 106337202
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
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-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
CID 62137676

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide (CID 62929851) is 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide is CC(C)n1ccnc(NCCCS(N)(=O)=O)c1=O.
What is the InChIKey of 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide?
The InChIKey is QRWIBCODAUATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-8(2)14-6-5-13-9(10(14)15)12-4-3-7-18(11,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H2,11,16,17).
What are the key properties of 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide?
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 62929851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).