1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide

C7H11N3O3S — CID 122702757

IUPAC1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide
SMILESCc1cnc(CC(O)S(N)(=O)=O)cn1
InChIInChI=1S/C7H11N3O3S/c1-5-3-10-6(4-9-5)2-7(11)14(8,12)13/h3-4,7,11H,2H2,1H3,(H2,8,12,13)
InChIKeyKJTADWXVHXWHNN-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.07
Rot. Bonds3

About 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide

1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide (PubChem CID 122702757) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide
PubChem CID122702757
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide
SMILESCc1cnc(CC(O)S(N)(=O)=O)cn1
InChIInChI=1S/C7H11N3O3S/c1-5-3-10-6(4-9-5)2-7(11)14(8,12)13/h3-4,7,11H,2H2,1H3,(H2,8,12,13)
InChIKeyKJTADWXVHXWHNN-UHFFFAOYSA-N
XLogP-1.07
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
The IUPAC name of 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide (CID 122702757) is 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide.
What is the SMILES notation for 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
The canonical SMILES for 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide is Cc1cnc(CC(O)S(N)(=O)=O)cn1.
What is the InChIKey of 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
The InChIKey is KJTADWXVHXWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-5-3-10-6(4-9-5)2-7(11)14(8,12)13/h3-4,7,11H,2H2,1H3,(H2,8,12,13).
What are the key properties of 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide has a molecular weight of 217.25 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide is sourced from PubChem (CID 122702757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).