N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide

C12H17N5O3S — CID 79232966

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1cccnc1NN
InChIInChI=1S/C12H17N5O3S/c1-7-11(9(3)20-16-7)8(2)17-21(18,19)10-5-4-6-14-12(10)15-13/h4-6,8,17H,13H2,1-3H3,(H,14,15)
InChIKeyXLADFVUWDGJCPR-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.01
Rot. Bonds5

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 79232966) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
PubChem CID79232966
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1cccnc1NN
InChIInChI=1S/C12H17N5O3S/c1-7-11(9(3)20-16-7)8(2)17-21(18,19)10-5-4-6-14-12(10)15-13/h4-6,8,17H,13H2,1-3H3,(H,14,15)
InChIKeyXLADFVUWDGJCPR-UHFFFAOYSA-N
XLogP1.01
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide (CID 79232966) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)c1cccnc1NN.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is XLADFVUWDGJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-7-11(9(3)20-16-7)8(2)17-21(18,19)10-5-4-6-14-12(10)15-13/h4-6,8,17H,13H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 79232966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).