1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine

C12H19NO2S — CID 63199723

IUPAC1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
SMILESCCS(=O)(=O)c1ccccc1CC(C)NC
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)12-8-6-5-7-11(12)9-10(2)13-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyFOQNELQOUFECEW-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.63
Rot. Bonds5

About 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine

1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine (PubChem CID 63199723) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
PubChem CID63199723
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
SMILESCCS(=O)(=O)c1ccccc1CC(C)NC
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)12-8-6-5-7-11(12)9-10(2)13-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyFOQNELQOUFECEW-UHFFFAOYSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
CID 63199727
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
CID 63200608
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
CID 55219614
N,3,3-trimethyl-1-(2-propylsulfonylphenyl)butan-2-amine
CID 63198050
N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63199979
1-(2-bromo-2-cyclopropylethyl)-2-ethylsulfonylbenzene
CID 55190865
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-ethyl-2-[(2-ethylphenyl)sulfonylmethylsulfonyl]benzene
CID 87641988
N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
CID 63202014
2-(2-ethylsulfonylanilino)-N-methylpropanamide
CID 54950934

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine (CID 63199723) is 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine is CCS(=O)(=O)c1ccccc1CC(C)NC.
What is the InChIKey of 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine?
The InChIKey is FOQNELQOUFECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16(14,15)12-8-6-5-7-11(12)9-10(2)13-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine?
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63199723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).