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

C8H14N4O2S — CID 62846310

IUPAC2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCN)cn1
InChIInChI=1S/C8H14N4O2S/c1-7-4-11-8(5-10-7)6-12-15(13,14)3-2-9/h4-5,12H,2-3,6,9H2,1H3
InChIKeyMGFVDOGXBCCOET-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.84
Rot. Bonds5

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

2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide (PubChem CID 62846310) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
PubChem CID62846310
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCN)cn1
InChIInChI=1S/C8H14N4O2S/c1-7-4-11-8(5-10-7)6-12-15(13,14)3-2-9/h4-5,12H,2-3,6,9H2,1H3
InChIKeyMGFVDOGXBCCOET-UHFFFAOYSA-N
XLogP-0.84
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Methylpyrazin-2-yl)methanesulfonyl fluoride
CID 165870561
2-(((5-Methylpyrazin-2-yl)methyl)amino)ethanethiol
CID 13921004
2-Methyl-5-(sulfonylmethyl)pyrazine
CID 20221564
2-Methyl-6-(sulfonylmethyl)pyrazine
CID 20221644
(5-Methylpyrazin-2-yl)methanesulfinate
CID 57048512
(6-Methylpyrazin-2-yl)methanesulfinate
CID 57210545
(Pyrazin-2-yl)methanesulfonamide
CID 57430877
2-methylsulfanyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 63982468
2-(Methylsulfonylmethyl)pyrazine
CID 67392747
2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide
CID 68488656
N-[(5-methylpyrazin-2-yl)methyl]sulfamide
CID 68551051
2-Methyl-5-[(sulfinatoamino)methyl]pyrazine
CID 68551055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide (CID 62846310) is 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide is Cc1cnc(CNS(=O)(=O)CCN)cn1.
What is the InChIKey of 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
The InChIKey is MGFVDOGXBCCOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-7-4-11-8(5-10-7)6-12-15(13,14)3-2-9/h4-5,12H,2-3,6,9H2,1H3.
What are the key properties of 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide?
2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 62846310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).