N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide

C13H20N2O2S — CID 104860205

IUPACN-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CC(C)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)15-12-6-4-11(5-7-12)14-13-8-10(2)9-13/h4-7,10,13-15H,3,8-9H2,1-2H3
InChIKeyBHZKMXILSIOUSM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.66
Rot. Bonds5

About N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide

N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide (PubChem CID 104860205) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide
PubChem CID104860205
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CC(C)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)15-12-6-4-11(5-7-12)14-13-8-10(2)9-13/h4-7,10,13-15H,3,8-9H2,1-2H3
InChIKeyBHZKMXILSIOUSM-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
CID 113467284
N-[4-(cycloheptylamino)phenyl]ethanesulfonamide
CID 60932393
N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
CID 103981671
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
CID 174697656
CID 174697656
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide
CID 60932516
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
CID 64753180

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide (CID 104860205) is N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC2CC(C)C2)cc1.
What is the InChIKey of N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide?
The InChIKey is BHZKMXILSIOUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-18(16,17)15-12-6-4-11(5-7-12)14-13-8-10(2)9-13/h4-7,10,13-15H,3,8-9H2,1-2H3.
What are the key properties of N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide?
N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide is sourced from PubChem (CID 104860205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).