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

C12H21N3O3S — CID 47405513

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(c2noc(C)n2)CCCCC1
InChIInChI=1S/C12H21N3O3S/c1-3-9-19(16,17)15-12(7-5-4-6-8-12)11-13-10(2)18-14-11/h15H,3-9H2,1-2H3
InChIKeyAPPXQSCKGQZSKE-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.87
Rot. Bonds5

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

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide (PubChem CID 47405513) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide
PubChem CID47405513
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(c2noc(C)n2)CCCCC1
InChIInChI=1S/C12H21N3O3S/c1-3-9-19(16,17)15-12(7-5-4-6-8-12)11-13-10(2)18-14-11/h15H,3-9H2,1-2H3
InChIKeyAPPXQSCKGQZSKE-UHFFFAOYSA-N
XLogP1.87
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide (CID 47405513) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(c2noc(C)n2)CCCCC1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is APPXQSCKGQZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-9-19(16,17)15-12(7-5-4-6-8-12)11-13-10(2)18-14-11/h15H,3-9H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 47405513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).