4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide

C10H17N3O3S — CID 114134767

IUPAC4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCCO)cn1
InChIInChI=1S/C10H17N3O3S/c1-9-6-12-10(7-11-9)8-13-17(15,16)5-3-2-4-14/h6-7,13-14H,2-5,8H2,1H3
InChIKeyGLPYMTFSEYSTKO-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.02
Rot. Bonds7

About 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide

4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide (PubChem CID 114134767) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
PubChem CID114134767
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCCO)cn1
InChIInChI=1S/C10H17N3O3S/c1-9-6-12-10(7-11-9)8-13-17(15,16)5-3-2-4-14/h6-7,13-14H,2-5,8H2,1H3
InChIKeyGLPYMTFSEYSTKO-UHFFFAOYSA-N
XLogP-0.02
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide
CID 122702757
2-[(5-Methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
CID 55121799
N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 55122289
2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
CID 55122291
3-[(5-Methylpyrazin-2-yl)methylsulfamoyl]propanoic acid
CID 62845559
2-[(5-Methylpyrazin-2-yl)methylsulfamoyl]acetic acid
CID 62845736
Methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate
CID 62845746
2-amino-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
CID 62846310
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]ethanesulfonamide
CID 62846316
N-[(5-methylpyrazin-2-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62846319
4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
CID 62846484
3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide
CID 62846667

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide (CID 114134767) is 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide is Cc1cnc(CNS(=O)(=O)CCCCO)cn1.
What is the InChIKey of 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is GLPYMTFSEYSTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-9-6-12-10(7-11-9)8-13-17(15,16)5-3-2-4-14/h6-7,13-14H,2-5,8H2,1H3.
What are the key properties of 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 114134767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).