3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine

C14H21NO3S — CID 66359704

IUPAC3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H21NO3S/c1-3-8-15-11-9-13(10-11)18-12-4-6-14(7-5-12)19(2,16)17/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyFPPNEXAGFTWLIS-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.00
Rot. Bonds6

About 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine

3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66359704) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID66359704
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H21NO3S/c1-3-8-15-11-9-13(10-11)18-12-4-6-14(7-5-12)19(2,16)17/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyFPPNEXAGFTWLIS-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-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-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine (CID 66359704) is 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is FPPNEXAGFTWLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-8-15-11-9-13(10-11)18-12-4-6-14(7-5-12)19(2,16)17/h4-7,11,13,15H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine?
3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66359704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).