5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole

C10H18N4O3S — CID 136548145

IUPAC5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
SMILESCC(C)NS(=O)(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C10H18N4O3S/c1-7(2)13-18(15,16)14(3)6-9-11-10(17-12-9)8-4-5-8/h7-8,13H,4-6H2,1-3H3
InChIKeyLWWDFDKOMSDQND-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.62
Rot. Bonds6

About 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole (PubChem CID 136548145) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
PubChem CID136548145
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
SMILESCC(C)NS(=O)(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C10H18N4O3S/c1-7(2)13-18(15,16)14(3)6-9-11-10(17-12-9)8-4-5-8/h7-8,13H,4-6H2,1-3H3
InChIKeyLWWDFDKOMSDQND-UHFFFAOYSA-N
XLogP0.62
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(dimethylsulfamoyl)-N-methylethanamine
CID 136531431
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylbenzenesulfonamide
CID 53055787
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole (CID 136548145) is 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole is CC(C)NS(=O)(=O)N(C)Cc1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole?
The InChIKey is LWWDFDKOMSDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7(2)13-18(15,16)14(3)6-9-11-10(17-12-9)8-4-5-8/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole has a molecular weight of 274.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136548145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).