N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide

C8H13N3O3S — CID 64587059

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C8H13N3O3S/c1-5(2)15(12,13)11-8-10-9-7(14-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyVKZCHCDFCZAKGV-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.10
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide (PubChem CID 64587059) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide
PubChem CID64587059
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C8H13N3O3S/c1-5(2)15(12,13)11-8-10-9-7(14-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyVKZCHCDFCZAKGV-UHFFFAOYSA-N
XLogP1.10
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]acetic acid
CID 43662855
4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoic acid
CID 43662857
3-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid
CID 43662858
2-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoic acid
CID 54947750
3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide
CID 60958496
Methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate
CID 61460458
1-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
CID 63665148
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide
CID 64584146
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide
CID 64587060
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
CID 64587061
3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylpropane-1-sulfonamide
CID 79586280
1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
CID 83084063

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide (CID 64587059) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide?
The InChIKey is VKZCHCDFCZAKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-5(2)15(12,13)11-8-10-9-7(14-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 64587059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).