1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide

C12H14N4O3S — CID 146149333

IUPAC1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H14N4O3S/c1-16(11-4-2-3-7-13-11)20(17,18)8-10-14-12(19-15-10)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3
InChIKeyLZIZDGCRYMALKX-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.31
Rot. Bonds5

About 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide

1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide (PubChem CID 146149333) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
PubChem CID146149333
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H14N4O3S/c1-16(11-4-2-3-7-13-11)20(17,18)8-10-14-12(19-15-10)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3
InChIKeyLZIZDGCRYMALKX-UHFFFAOYSA-N
XLogP1.31
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(dimethylsulfamoyl)-N-methylethanamine
CID 136531431
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-N-(pyridin-2-ylmethyl)-1,4-benzoxazine-7-sulfonamide
CID 53199212
3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
CID 91842616
2-[methyl(sulfamoyl)amino]pyridine
CID 112686069
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide
CID 166337225
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide
CID 53055787
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130161
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129379528
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
CID 118783486

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
The IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide (CID 146149333) is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
The canonical SMILES for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide is CN(c1ccccn1)S(=O)(=O)Cc1noc(C2CC2)n1.
What is the InChIKey of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
The InChIKey is LZIZDGCRYMALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-16(11-4-2-3-7-13-11)20(17,18)8-10-14-12(19-15-10)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 146149333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).