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

C6H11N3O3S — CID 130694545

IUPACN-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide
SMILESCC(C)c1nnc(NS(C)(=O)=O)o1
InChIInChI=1S/C6H11N3O3S/c1-4(2)5-7-8-6(12-5)9-13(3,10)11/h4H,1-3H3,(H,8,9)
InChIKeyNWCFHNVSRJCSOK-UHFFFAOYSA-N
MW205.24 g/mol
LogP0.56
Rot. Bonds3

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

N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide (PubChem CID 130694545) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide
PubChem CID130694545
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC NameN-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide
SMILESCC(C)c1nnc(NS(C)(=O)=O)o1
InChIInChI=1S/C6H11N3O3S/c1-4(2)5-7-8-6(12-5)9-13(3,10)11/h4H,1-3H3,(H,8,9)
InChIKeyNWCFHNVSRJCSOK-UHFFFAOYSA-N
XLogP0.56
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide (CID 130694545) is N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide is CC(C)c1nnc(NS(C)(=O)=O)o1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The InChIKey is NWCFHNVSRJCSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-4(2)5-7-8-6(12-5)9-13(3,10)11/h4H,1-3H3,(H,8,9).
What are the key properties of N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide has a molecular weight of 205.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 130694545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).