2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide

C9H16N4O2S — CID 62846316

IUPAC2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H16N4O2S/c1-8-5-12-9(6-11-8)7-13-16(14,15)4-3-10-2/h5-6,10,13H,3-4,7H2,1-2H3
InChIKeyYMYKHFCZZDEBPR-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.58
Rot. Bonds6

About 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide

2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide (PubChem CID 62846316) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
PubChem CID62846316
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H16N4O2S/c1-8-5-12-9(6-11-8)7-13-16(14,15)4-3-10-2/h5-6,10,13H,3-4,7H2,1-2H3
InChIKeyYMYKHFCZZDEBPR-UHFFFAOYSA-N
XLogP-0.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide (CID 62846316) is 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide is CNCCS(=O)(=O)NCc1cnc(C)cn1.
What is the InChIKey of 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The InChIKey is YMYKHFCZZDEBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-8-5-12-9(6-11-8)7-13-16(14,15)4-3-10-2/h5-6,10,13H,3-4,7H2,1-2H3.
What are the key properties of 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 62846316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).