[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine

C12H17NO4S — CID 102605751

IUPAC[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
SMILESNCc1cccc(S(=O)(=O)CCOC2COC2)c1
InChIInChI=1S/C12H17NO4S/c13-7-10-2-1-3-12(6-10)18(14,15)5-4-17-11-8-16-9-11/h1-3,6,11H,4-5,7-9,13H2
InChIKeyLVHYATMEQXQVGN-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.33
Rot. Bonds6

About [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine

[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine (PubChem CID 102605751) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
PubChem CID102605751
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
SMILESNCc1cccc(S(=O)(=O)CCOC2COC2)c1
InChIInChI=1S/C12H17NO4S/c13-7-10-2-1-3-12(6-10)18(14,15)5-4-17-11-8-16-9-11/h1-3,6,11H,4-5,7-9,13H2
InChIKeyLVHYATMEQXQVGN-UHFFFAOYSA-N
XLogP0.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[3-(oxetan-3-yloxymethyl)phenyl]methanamine
CID 102605746
[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
(3-propylsulfonylphenyl)methanamine
CID 83926717
[3-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694590
4-[2-(oxetan-3-yloxy)ethylsulfonyl]benzenecarbothioamide
CID 102606396
2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol
CID 82012695
2-[2-[3-(aminomethyl)phenyl]sulfonylethyl-cyclobutylamino]ethanol
CID 102860686
1-[3-(aminomethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106668585
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
[3-[2-(3-methylbutan-2-ylsulfinyl)ethylsulfonyl]phenyl]methanamine
CID 107767054

Frequently Asked Questions

What is the IUPAC name of [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine?
The IUPAC name of [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine (CID 102605751) is [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine.
What is the SMILES notation for [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine?
The canonical SMILES for [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine is NCc1cccc(S(=O)(=O)CCOC2COC2)c1.
What is the InChIKey of [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine?
The InChIKey is LVHYATMEQXQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c13-7-10-2-1-3-12(6-10)18(14,15)5-4-17-11-8-16-9-11/h1-3,6,11H,4-5,7-9,13H2.
What are the key properties of [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine?
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine has a molecular weight of 271.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine is sourced from PubChem (CID 102605751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).