2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide

C9H11N5O3S — CID 62151663

IUPAC2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2ccnc(N)c2)n1
InChIInChI=1S/C9H11N5O3S/c1-6-13-9(17-14-6)5-12-18(15,16)7-2-3-11-8(10)4-7/h2-4,12H,5H2,1H3,(H2,10,11)
InChIKeyLVGSWWUMUVUPIK-UHFFFAOYSA-N
MW269.29 g/mol
LogP-0.17
Rot. Bonds4

About 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide

2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide (PubChem CID 62151663) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
PubChem CID62151663
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC Name2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2ccnc(N)c2)n1
InChIInChI=1S/C9H11N5O3S/c1-6-13-9(17-14-6)5-12-18(15,16)7-2-3-11-8(10)4-7/h2-4,12H,5H2,1H3,(H2,10,11)
InChIKeyLVGSWWUMUVUPIK-UHFFFAOYSA-N
XLogP-0.17
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 61045796
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 63283647
2-iodo-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 103962380
2-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61014864
5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61126774
4-(cyanomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79186636
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
2-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-4-sulfonamide
CID 62152452
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide (CID 62151663) is 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide is Cc1noc(CNS(=O)(=O)c2ccnc(N)c2)n1.
What is the InChIKey of 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
The InChIKey is LVGSWWUMUVUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-6-13-9(17-14-6)5-12-18(15,16)7-2-3-11-8(10)4-7/h2-4,12H,5H2,1H3,(H2,10,11).
What are the key properties of 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide?
2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide has a molecular weight of 269.29 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 62151663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).