N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine

C13H21NO2S — CID 63200608

IUPACN-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
SMILESCCNC(C)Cc1ccccc1S(=O)(=O)CC
InChIInChI=1S/C13H21NO2S/c1-4-14-11(3)10-12-8-6-7-9-13(12)17(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyNWZHGEMVSDCQJE-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.02
Rot. Bonds6

About N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine

N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine (PubChem CID 63200608) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
PubChem CID63200608
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
SMILESCCNC(C)Cc1ccccc1S(=O)(=O)CC
InChIInChI=1S/C13H21NO2S/c1-4-14-11(3)10-12-8-6-7-9-13(12)17(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyNWZHGEMVSDCQJE-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
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N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63198549
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
CID 55219614
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
1-(2-bromo-2-cyclopropylethyl)-2-ethylsulfonylbenzene
CID 55190865
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
CID 63198012
1-ethyl-2-[(2-ethylphenyl)sulfonylmethylsulfonyl]benzene
CID 87641988
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide
CID 63202001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine (CID 63200608) is N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine is CCNC(C)Cc1ccccc1S(=O)(=O)CC.
What is the InChIKey of N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine?
The InChIKey is NWZHGEMVSDCQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-14-11(3)10-12-8-6-7-9-13(12)17(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine?
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 63200608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).