N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide

C13H23N3O3S — CID 136585170

IUPACN-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)C1CC1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C13H23N3O3S/c1-8(2)10(16-20(17,18)9-6-7-9)11-14-12(15-19-11)13(3,4)5/h8-10,16H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyQGICGDKCIDKIDC-SNVBAGLBSA-N
MW301.41 g/mol
LogP2.15
Rot. Bonds5

About N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide

N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide (PubChem CID 136585170) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide
PubChem CID136585170
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)C1CC1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C13H23N3O3S/c1-8(2)10(16-20(17,18)9-6-7-9)11-14-12(15-19-11)13(3,4)5/h8-10,16H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyQGICGDKCIDKIDC-SNVBAGLBSA-N
XLogP2.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide (CID 136585170) is N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide is CC(C)[C@@H](NS(=O)(=O)C1CC1)c1nc(C(C)(C)C)no1.
What is the InChIKey of N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide?
The InChIKey is QGICGDKCIDKIDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-8(2)10(16-20(17,18)9-6-7-9)11-14-12(15-19-11)13(3,4)5/h8-10,16H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide?
N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclopropanesulfonamide is sourced from PubChem (CID 136585170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).