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

C10H19N3O3S — CID 110368339

IUPACN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nnc(C(C)C)o1
InChIInChI=1S/C10H19N3O3S/c1-4-5-6-17(14,15)11-7-9-12-13-10(16-9)8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyMEUQMGGUUUKRJV-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.41
Rot. Bonds7

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

N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide (PubChem CID 110368339) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
PubChem CID110368339
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nnc(C(C)C)o1
InChIInChI=1S/C10H19N3O3S/c1-4-5-6-17(14,15)11-7-9-12-13-10(16-9)8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyMEUQMGGUUUKRJV-UHFFFAOYSA-N
XLogP1.41
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.41
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)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide (CID 110368339) is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nnc(C(C)C)o1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is MEUQMGGUUUKRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-4-5-6-17(14,15)11-7-9-12-13-10(16-9)8(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide?
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 1.41, 7 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)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110368339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).