3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride

C15H21ClN4O3S — CID 120858541

IUPAC3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(-c2nc(C3(N)CCC3)no2)c1.Cl
InChIInChI=1S/C15H20N4O3S.ClH/c1-3-17-23(20,21)11-6-5-10(2)12(9-11)13-18-14(19-22-13)15(16)7-4-8-15;/h5-6,9,17H,3-4,7-8,16H2,1-2H3;1H
InChIKeyNCBCSIWWOGUZKX-UHFFFAOYSA-N
MW372.88 g/mol
LogP2.10
Rot. Bonds5

About 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 120858541) has the molecular formula C15H21ClN4O3S and a molecular weight of 372.88 g/mol. Its IUPAC name is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
PubChem CID120858541
Molecular FormulaC15H21ClN4O3S
Molecular Weight372.88 g/mol
Exact Mass372.10
IUPAC Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(-c2nc(C3(N)CCC3)no2)c1.Cl
InChIInChI=1S/C15H20N4O3S.ClH/c1-3-17-23(20,21)11-6-5-10(2)12(9-11)13-18-14(19-22-13)15(16)7-4-8-15;/h5-6,9,17H,3-4,7-8,16H2,1-2H3;1H
InChIKeyNCBCSIWWOGUZKX-UHFFFAOYSA-N
XLogP2.10
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-fluorobenzenesulfonamide
CID 120855146
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-4-methylbenzenesulfonamide;hydrochloride
CID 120858671
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 120862484
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
CID 120861710
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920
1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860179
1-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851935
1-[5-(2-bromo-5-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859044
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N,N-diethylbenzenesulfonamide
CID 120854040
1-[5-(2-chloro-5-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851298
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863340
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 120863292

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride (CID 120858541) is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride is CCNS(=O)(=O)c1ccc(C)c(-c2nc(C3(N)CCC3)no2)c1.Cl.
What is the InChIKey of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is NCBCSIWWOGUZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S.ClH/c1-3-17-23(20,21)11-6-5-10(2)12(9-11)13-18-14(19-22-13)15(16)7-4-8-15;/h5-6,9,17H,3-4,7-8,16H2,1-2H3;1H.
What are the key properties of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride?
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 372.88 g/mol, XLogP of 2.10, 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-ethyl-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120858541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).