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

C10H18N4O3S — CID 62939676

IUPACN-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)n1ccnc(NCCNS(C)(=O)=O)c1=O
InChIInChI=1S/C10H18N4O3S/c1-8(2)14-7-6-12-9(10(14)15)11-4-5-13-18(3,16)17/h6-8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFAUPKQMYFPLXOP-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.21
Rot. Bonds6

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

N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 62939676) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID62939676
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)n1ccnc(NCCNS(C)(=O)=O)c1=O
InChIInChI=1S/C10H18N4O3S/c1-8(2)14-7-6-12-9(10(14)15)11-4-5-13-18(3,16)17/h6-8,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFAUPKQMYFPLXOP-UHFFFAOYSA-N
XLogP-0.21
TPSA93.09 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 ≤ 5-0.21
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
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
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
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
3-[2-(2,2-difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 106105480

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide (CID 62939676) is N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide is CC(C)n1ccnc(NCCNS(C)(=O)=O)c1=O.
What is the InChIKey of N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is FAUPKQMYFPLXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-8(2)14-7-6-12-9(10(14)15)11-4-5-13-18(3,16)17/h6-8,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 62939676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).