4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline

C13H19NO2S — CID 113467284

IUPAC4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
SMILESCCS(=O)(=O)c1ccc(NC2CC(C)C2)cc1
InChIInChI=1S/C13H19NO2S/c1-3-17(15,16)13-6-4-11(5-7-13)14-12-8-10(2)9-12/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyQXWCJJFAJFTNCD-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.69
Rot. Bonds4

About 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline

4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline (PubChem CID 113467284) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
PubChem CID113467284
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
SMILESCCS(=O)(=O)c1ccc(NC2CC(C)C2)cc1
InChIInChI=1S/C13H19NO2S/c1-3-17(15,16)13-6-4-11(5-7-13)14-12-8-10(2)9-12/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyQXWCJJFAJFTNCD-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylcyclohexyl)-4-ethylsulfonylaniline
CID 64731826
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N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
CID 43689650
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
3-(4-ethylsulfonylanilino)cyclohexane-1-carboxylic acid
CID 63042415
N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 61170389
4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
CID 107413945
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline (CID 113467284) is 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline is CCS(=O)(=O)c1ccc(NC2CC(C)C2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline?
The InChIKey is QXWCJJFAJFTNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-17(15,16)13-6-4-11(5-7-13)14-12-8-10(2)9-12/h4-7,10,12,14H,3,8-9H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline?
4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline has a molecular weight of 253.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 113467284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).