3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine

C12H17NO3S — CID 116872679

IUPAC3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine
SMILESCC(C)S(=O)(=O)c1ccc(C2(N)COC2)cc1
InChIInChI=1S/C12H17NO3S/c1-9(2)17(14,15)11-5-3-10(4-6-11)12(13)7-16-8-12/h3-6,9H,7-8,13H2,1-2H3
InChIKeyLQZQTQUBXPLTET-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.05
Rot. Bonds3

About 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine

3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine (PubChem CID 116872679) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine
PubChem CID116872679
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine
SMILESCC(C)S(=O)(=O)c1ccc(C2(N)COC2)cc1
InChIInChI=1S/C12H17NO3S/c1-9(2)17(14,15)11-5-3-10(4-6-11)12(13)7-16-8-12/h3-6,9H,7-8,13H2,1-2H3
InChIKeyLQZQTQUBXPLTET-UHFFFAOYSA-N
XLogP1.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine?
The IUPAC name of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine (CID 116872679) is 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine.
What is the SMILES notation for 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine?
The canonical SMILES for 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine is CC(C)S(=O)(=O)c1ccc(C2(N)COC2)cc1.
What is the InChIKey of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine?
The InChIKey is LQZQTQUBXPLTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(2)17(14,15)11-5-3-10(4-6-11)12(13)7-16-8-12/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine?
3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine has a molecular weight of 255.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylsulfonylphenyl)oxetan-3-amine is sourced from PubChem (CID 116872679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).