2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline

C15H19NO2S2 — CID 43453652

IUPAC2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCCCS(=O)(=O)c1ccccc1NCCc1cccs1
InChIInChI=1S/C15H19NO2S2/c1-2-12-20(17,18)15-8-4-3-7-14(15)16-10-9-13-6-5-11-19-13/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyQFDOFYQLCMDJFL-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.59
Rot. Bonds7

About 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline

2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 43453652) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID43453652
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCCCS(=O)(=O)c1ccccc1NCCc1cccs1
InChIInChI=1S/C15H19NO2S2/c1-2-12-20(17,18)15-8-4-3-7-14(15)16-10-9-13-6-5-11-19-13/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyQFDOFYQLCMDJFL-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline (CID 43453652) is 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline is CCCS(=O)(=O)c1ccccc1NCCc1cccs1.
What is the InChIKey of 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is QFDOFYQLCMDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-2-12-20(17,18)15-8-4-3-7-14(15)16-10-9-13-6-5-11-19-13/h3-8,11,16H,2,9-10,12H2,1H3.
What are the key properties of 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline?
2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 309.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43453652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).