N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide

C10H18N4O3S — CID 106337676

IUPACN-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C10H18N4O3S/c1-8(2)14-6-4-12-9(10(14)15)13-5-7-18(16,17)11-3/h4,6,8,11H,5,7H2,1-3H3,(H,12,13)
InChIKeyXNWZSZOCEOOIGP-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.21
Rot. Bonds6

About N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide

N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide (PubChem CID 106337676) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
PubChem CID106337676
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C10H18N4O3S/c1-8(2)14-6-4-12-9(10(14)15)13-5-7-18(16,17)11-3/h4,6,8,11H,5,7H2,1-3H3,(H,12,13)
InChIKeyXNWZSZOCEOOIGP-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

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Related Compounds

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-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
CID 106337202
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-[2-(2,2-difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62939874
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 106105480
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide (CID 106337676) is N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide is CNS(=O)(=O)CCNc1nccn(C(C)C)c1=O.
What is the InChIKey of N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide?
The InChIKey is XNWZSZOCEOOIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-8(2)14-6-4-12-9(10(14)15)13-5-7-18(16,17)11-3/h4,6,8,11H,5,7H2,1-3H3,(H,12,13).
What are the key properties of N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide?
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide 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-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106337676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).