2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine

C13H21FN4O3S — CID 128517056

IUPAC2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine
SMILESCN(C)S(=O)(=O)N(C)CCc1noc(C(F)=C2CCCC2)n1
InChIInChI=1S/C13H21FN4O3S/c1-17(2)22(19,20)18(3)9-8-11-15-13(21-16-11)12(14)10-6-4-5-7-10/h4-9H2,1-3H3
InChIKeyIRRSKEDGPWEFIH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.60
Rot. Bonds6

About 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine

2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine (PubChem CID 128517056) has the molecular formula C13H21FN4O3S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine
PubChem CID128517056
Molecular FormulaC13H21FN4O3S
Molecular Weight332.40 g/mol
Exact Mass332.13
IUPAC Name2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine
SMILESCN(C)S(=O)(=O)N(C)CCc1noc(C(F)=C2CCCC2)n1
InChIInChI=1S/C13H21FN4O3S/c1-17(2)22(19,20)18(3)9-8-11-15-13(21-16-11)12(14)10-6-4-5-7-10/h4-9H2,1-3H3
InChIKeyIRRSKEDGPWEFIH-UHFFFAOYSA-N
XLogP1.60
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine?
The IUPAC name of 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine (CID 128517056) is 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine.
What is the SMILES notation for 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine?
The canonical SMILES for 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine is CN(C)S(=O)(=O)N(C)CCc1noc(C(F)=C2CCCC2)n1.
What is the InChIKey of 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine?
The InChIKey is IRRSKEDGPWEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O3S/c1-17(2)22(19,20)18(3)9-8-11-15-13(21-16-11)12(14)10-6-4-5-7-10/h4-9H2,1-3H3.
What are the key properties of 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine?
2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine has a molecular weight of 332.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[cyclopentylidene(fluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(dimethylsulfamoyl)-N-methylethanamine is sourced from PubChem (CID 128517056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).