4-butyl-N-(2-propylsulfonylethyl)aniline

C15H25NO2S — CID 106723202

IUPAC4-butyl-N-(2-propylsulfonylethyl)aniline
SMILESCCCCc1ccc(NCCS(=O)(=O)CCC)cc1
InChIInChI=1S/C15H25NO2S/c1-3-5-6-14-7-9-15(10-8-14)16-11-13-19(17,18)12-4-2/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyHYNPJTWDVUHCIF-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.27
Rot. Bonds9

About 4-butyl-N-(2-propylsulfonylethyl)aniline

4-butyl-N-(2-propylsulfonylethyl)aniline (PubChem CID 106723202) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-butyl-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(2-propylsulfonylethyl)aniline
PubChem CID106723202
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-butyl-N-(2-propylsulfonylethyl)aniline
SMILESCCCCc1ccc(NCCS(=O)(=O)CCC)cc1
InChIInChI=1S/C15H25NO2S/c1-3-5-6-14-7-9-15(10-8-14)16-11-13-19(17,18)12-4-2/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyHYNPJTWDVUHCIF-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylanilino)ethanesulfonyl fluoride;hydrochloride
CID 88507571
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
3,4-difluoro-N-(2-propylsulfonylethyl)aniline
CID 106723062
N-butyl-4-propylsulfonylaniline
CID 43453437
4-butyl-N-(3-methoxy-3-methylbutyl)aniline
CID 103033140
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
5-(4-butylanilino)pentan-1-ol
CID 62228069
4-N-(3-butylsulfonylpropyl)benzene-1,4-diamine
CID 58586711
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 4-butyl-N-(2-propylsulfonylethyl)aniline (CID 106723202) is 4-butyl-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 4-butyl-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 4-butyl-N-(2-propylsulfonylethyl)aniline is CCCCc1ccc(NCCS(=O)(=O)CCC)cc1.
What is the InChIKey of 4-butyl-N-(2-propylsulfonylethyl)aniline?
The InChIKey is HYNPJTWDVUHCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-5-6-14-7-9-15(10-8-14)16-11-13-19(17,18)12-4-2/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of 4-butyl-N-(2-propylsulfonylethyl)aniline?
4-butyl-N-(2-propylsulfonylethyl)aniline has a molecular weight of 283.44 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 106723202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).