4-(2-aminoethylsulfonyl)-N,N-diethylaniline

C12H20N2O2S — CID 84708887

IUPAC4-(2-aminoethylsulfonyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(S(=O)(=O)CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-14(4-2)11-5-7-12(8-6-11)17(15,16)10-9-13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyWZDUXJQRQQKCDX-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds6

About 4-(2-aminoethylsulfonyl)-N,N-diethylaniline

4-(2-aminoethylsulfonyl)-N,N-diethylaniline (PubChem CID 84708887) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(2-aminoethylsulfonyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(2-aminoethylsulfonyl)-N,N-diethylaniline
PubChem CID84708887
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(2-aminoethylsulfonyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(S(=O)(=O)CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-14(4-2)11-5-7-12(8-6-11)17(15,16)10-9-13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyWZDUXJQRQQKCDX-UHFFFAOYSA-N
XLogP1.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfonyl)-N,N-diethylaniline?
The IUPAC name of 4-(2-aminoethylsulfonyl)-N,N-diethylaniline (CID 84708887) is 4-(2-aminoethylsulfonyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(2-aminoethylsulfonyl)-N,N-diethylaniline?
The canonical SMILES for 4-(2-aminoethylsulfonyl)-N,N-diethylaniline is CCN(CC)c1ccc(S(=O)(=O)CCN)cc1.
What is the InChIKey of 4-(2-aminoethylsulfonyl)-N,N-diethylaniline?
The InChIKey is WZDUXJQRQQKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-14(4-2)11-5-7-12(8-6-11)17(15,16)10-9-13/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of 4-(2-aminoethylsulfonyl)-N,N-diethylaniline?
4-(2-aminoethylsulfonyl)-N,N-diethylaniline has a molecular weight of 256.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfonyl)-N,N-diethylaniline is sourced from PubChem (CID 84708887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).