3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide

C14H18N4O3S — CID 120861710

IUPAC3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1
InChIInChI=1S/C14H18N4O3S/c1-2-16-22(19,20)11-6-3-5-10(9-11)12-17-13(18-21-12)14(15)7-4-8-14/h3,5-6,9,16H,2,4,7-8,15H2,1H3
InChIKeyXPEBPDQKIBMIPT-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.37
Rot. Bonds5

About 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide (PubChem CID 120861710) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
PubChem CID120861710
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1
InChIInChI=1S/C14H18N4O3S/c1-2-16-22(19,20)11-6-3-5-10(9-11)12-17-13(18-21-12)14(15)7-4-8-14/h3,5-6,9,16H,2,4,7-8,15H2,1H3
InChIKeyXPEBPDQKIBMIPT-UHFFFAOYSA-N
XLogP1.37
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
CID 120858541
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-fluorobenzenesulfonamide
CID 120855146
1-[5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863287
1-[5-[3-(methylsulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860209
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863148
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide
CID 120862262
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120858617

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide (CID 120861710) is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1.
What is the InChIKey of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide?
The InChIKey is XPEBPDQKIBMIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-16-22(19,20)11-6-3-5-10(9-11)12-17-13(18-21-12)14(15)7-4-8-14/h3,5-6,9,16H,2,4,7-8,15H2,1H3.
What are the key properties of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide?
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 120861710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).