1-(4-propylsulfonylphenyl)butan-1-amine

C13H21NO2S — CID 82550637

IUPAC1-(4-propylsulfonylphenyl)butan-1-amine
SMILESCCCC(N)c1ccc(S(=O)(=O)CCC)cc1
InChIInChI=1S/C13H21NO2S/c1-3-5-13(14)11-6-8-12(9-7-11)17(15,16)10-4-2/h6-9,13H,3-5,10,14H2,1-2H3
InChIKeyBCHJTGDYODWJJK-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-propylsulfonylphenyl)butan-1-amine

1-(4-propylsulfonylphenyl)butan-1-amine (PubChem CID 82550637) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(4-propylsulfonylphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-propylsulfonylphenyl)butan-1-amine
PubChem CID82550637
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(4-propylsulfonylphenyl)butan-1-amine
SMILESCCCC(N)c1ccc(S(=O)(=O)CCC)cc1
InChIInChI=1S/C13H21NO2S/c1-3-5-13(14)11-6-8-12(9-7-11)17(15,16)10-4-2/h6-9,13H,3-5,10,14H2,1-2H3
InChIKeyBCHJTGDYODWJJK-UHFFFAOYSA-N
XLogP2.67
TPSA60.16 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylsulfonylphenyl)butan-1-amine?
The IUPAC name of 1-(4-propylsulfonylphenyl)butan-1-amine (CID 82550637) is 1-(4-propylsulfonylphenyl)butan-1-amine.
What is the SMILES notation for 1-(4-propylsulfonylphenyl)butan-1-amine?
The canonical SMILES for 1-(4-propylsulfonylphenyl)butan-1-amine is CCCC(N)c1ccc(S(=O)(=O)CCC)cc1.
What is the InChIKey of 1-(4-propylsulfonylphenyl)butan-1-amine?
The InChIKey is BCHJTGDYODWJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-5-13(14)11-6-8-12(9-7-11)17(15,16)10-4-2/h6-9,13H,3-5,10,14H2,1-2H3.
What are the key properties of 1-(4-propylsulfonylphenyl)butan-1-amine?
1-(4-propylsulfonylphenyl)butan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylsulfonylphenyl)butan-1-amine is sourced from PubChem (CID 82550637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).