2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide

C8H14N4O3S — CID 62940018

IUPAC2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
SMILESCCn1ccnc(NCCS(N)(=O)=O)c1=O
InChIInChI=1S/C8H14N4O3S/c1-2-12-5-3-10-7(8(12)13)11-4-6-16(9,14)15/h3,5H,2,4,6H2,1H3,(H,10,11)(H2,9,14,15)
InChIKeyLWIBNQPHBSSZKM-UHFFFAOYSA-N
MW246.29 g/mol
LogP-1.04
Rot. Bonds5

About 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide (PubChem CID 62940018) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
PubChem CID62940018
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
SMILESCCn1ccnc(NCCS(N)(=O)=O)c1=O
InChIInChI=1S/C8H14N4O3S/c1-2-12-5-3-10-7(8(12)13)11-4-6-16(9,14)15/h3,5H,2,4,6H2,1H3,(H,10,11)(H2,9,14,15)
InChIKeyLWIBNQPHBSSZKM-UHFFFAOYSA-N
XLogP-1.04
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
CID 62137676
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide (CID 62940018) is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide is CCn1ccnc(NCCS(N)(=O)=O)c1=O.
What is the InChIKey of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide?
The InChIKey is LWIBNQPHBSSZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-2-12-5-3-10-7(8(12)13)11-4-6-16(9,14)15/h3,5H,2,4,6H2,1H3,(H,10,11)(H2,9,14,15).
What are the key properties of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide?
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 62940018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).