N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide

C8H13N3O4S — CID 122702466

IUPACN-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
SMILESCOc1cnc(CC(C)S(=O)(=O)NO)cn1
InChIInChI=1S/C8H13N3O4S/c1-6(16(13,14)11-12)3-7-4-10-8(15-2)5-9-7/h4-6,11-12H,3H2,1-2H3
InChIKeyTXAAUWYGNBAYRX-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.28
Rot. Bonds5

About N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide

N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide (PubChem CID 122702466) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
PubChem CID122702466
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC NameN-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
SMILESCOc1cnc(CC(C)S(=O)(=O)NO)cn1
InChIInChI=1S/C8H13N3O4S/c1-6(16(13,14)11-12)3-7-4-10-8(15-2)5-9-7/h4-6,11-12H,3H2,1-2H3
InChIKeyTXAAUWYGNBAYRX-UHFFFAOYSA-N
XLogP-0.28
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
The IUPAC name of N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide (CID 122702466) is N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide is COc1cnc(CC(C)S(=O)(=O)NO)cn1.
What is the InChIKey of N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
The InChIKey is TXAAUWYGNBAYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-6(16(13,14)11-12)3-7-4-10-8(15-2)5-9-7/h4-6,11-12H,3H2,1-2H3.
What are the key properties of N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 122702466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).