5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide

C13H20N2O3S — CID 106821362

IUPAC5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC2CC(OC)C2)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-9-4-5-10(8-13(9)19(16,17)14-2)15-11-6-12(7-11)18-3/h4-5,8,11-12,14-15H,6-7H2,1-3H3
InChIKeyFAOACFQYQONXEM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.49
Rot. Bonds5

About 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide

5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide (PubChem CID 106821362) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide
PubChem CID106821362
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC2CC(OC)C2)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-9-4-5-10(8-13(9)19(16,17)14-2)15-11-6-12(7-11)18-3/h4-5,8,11-12,14-15H,6-7H2,1-3H3
InChIKeyFAOACFQYQONXEM-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
CID 43717499
4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
CID 64761633
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
CID 104870299
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
3,4,5-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821480
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
5-(chloromethylsulfonylamino)-N,2-dimethylbenzenesulfonamide
CID 63664896

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide (CID 106821362) is 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NC2CC(OC)C2)ccc1C.
What is the InChIKey of 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is FAOACFQYQONXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-4-5-10(8-13(9)19(16,17)14-2)15-11-6-12(7-11)18-3/h4-5,8,11-12,14-15H,6-7H2,1-3H3.
What are the key properties of 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide?
5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 106821362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).