1-(4-propylsulfonylphenyl)azetidin-3-amine

C12H18N2O2S — CID 63759620

IUPAC1-(4-propylsulfonylphenyl)azetidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(N2CC(N)C2)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-7-17(15,16)12-5-3-11(4-6-12)14-8-10(13)9-14/h3-6,10H,2,7-9,13H2,1H3
InChIKeyYGLHUVVCJRNMPL-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.02
Rot. Bonds4

About 1-(4-propylsulfonylphenyl)azetidin-3-amine

1-(4-propylsulfonylphenyl)azetidin-3-amine (PubChem CID 63759620) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-propylsulfonylphenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(4-propylsulfonylphenyl)azetidin-3-amine
PubChem CID63759620
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(4-propylsulfonylphenyl)azetidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(N2CC(N)C2)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-7-17(15,16)12-5-3-11(4-6-12)14-8-10(13)9-14/h3-6,10H,2,7-9,13H2,1H3
InChIKeyYGLHUVVCJRNMPL-UHFFFAOYSA-N
XLogP1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylsulfonylphenyl)azetidin-3-amine?
The IUPAC name of 1-(4-propylsulfonylphenyl)azetidin-3-amine (CID 63759620) is 1-(4-propylsulfonylphenyl)azetidin-3-amine.
What is the SMILES notation for 1-(4-propylsulfonylphenyl)azetidin-3-amine?
The canonical SMILES for 1-(4-propylsulfonylphenyl)azetidin-3-amine is CCCS(=O)(=O)c1ccc(N2CC(N)C2)cc1.
What is the InChIKey of 1-(4-propylsulfonylphenyl)azetidin-3-amine?
The InChIKey is YGLHUVVCJRNMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-7-17(15,16)12-5-3-11(4-6-12)14-8-10(13)9-14/h3-6,10H,2,7-9,13H2,1H3.
What are the key properties of 1-(4-propylsulfonylphenyl)azetidin-3-amine?
1-(4-propylsulfonylphenyl)azetidin-3-amine has a molecular weight of 254.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylsulfonylphenyl)azetidin-3-amine is sourced from PubChem (CID 63759620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).