N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide

C11H20N4O3S — CID 62939850

IUPACN-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)(C)n1ccnc(NCCNS(C)(=O)=O)c1=O
InChIInChI=1S/C11H20N4O3S/c1-11(2,3)15-8-7-13-9(10(15)16)12-5-6-14-19(4,17)18/h7-8,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyRKUNPVHGWOFPTB-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.04
Rot. Bonds5

About N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 62939850) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID62939850
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)(C)n1ccnc(NCCNS(C)(=O)=O)c1=O
InChIInChI=1S/C11H20N4O3S/c1-11(2,3)15-8-7-13-9(10(15)16)12-5-6-14-19(4,17)18/h7-8,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyRKUNPVHGWOFPTB-UHFFFAOYSA-N
XLogP-0.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.04
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-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
CID 62938441
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
CID 106337202
1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one
CID 62938464
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
CID 62939165
3-[3-(2-aminoethoxy)propylamino]-1-tert-butylpyrazin-2-one
CID 106308349
1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one
CID 62928104
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
CID 114943089

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide (CID 62939850) is N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide is CC(C)(C)n1ccnc(NCCNS(C)(=O)=O)c1=O.
What is the InChIKey of N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is RKUNPVHGWOFPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-11(2,3)15-8-7-13-9(10(15)16)12-5-6-14-19(4,17)18/h7-8,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 62939850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).