N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide

C6H11N3O3S — CID 130626442

IUPACN-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
SMILESCCCc1nnc(NS(C)(=O)=O)o1
InChIInChI=1S/C6H11N3O3S/c1-3-4-5-7-8-6(12-5)9-13(2,10)11/h3-4H2,1-2H3,(H,8,9)
InChIKeyHNNXTXITWBPUGY-UHFFFAOYSA-N
MW205.24 g/mol
LogP0.39
Rot. Bonds4

About N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide

N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide (PubChem CID 130626442) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
PubChem CID130626442
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC NameN-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
SMILESCCCc1nnc(NS(C)(=O)=O)o1
InChIInChI=1S/C6H11N3O3S/c1-3-4-5-7-8-6(12-5)9-13(2,10)11/h3-4H2,1-2H3,(H,8,9)
InChIKeyHNNXTXITWBPUGY-UHFFFAOYSA-N
XLogP0.39
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide (CID 130626442) is N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide is CCCc1nnc(NS(C)(=O)=O)o1.
What is the InChIKey of N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The InChIKey is HNNXTXITWBPUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-3-4-5-7-8-6(12-5)9-13(2,10)11/h3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide has a molecular weight of 205.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-oxadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 130626442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).