N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine

C12H17NO3S — CID 117391546

IUPACN-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine
SMILESCNCCc1ccccc1S(=O)(=O)C1COC1
InChIInChI=1S/C12H17NO3S/c1-13-7-6-10-4-2-3-5-12(10)17(14,15)11-8-16-9-11/h2-5,11,13H,6-9H2,1H3
InChIKeySQCCXEAROVTQKI-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.62
Rot. Bonds5

About N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine

N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine (PubChem CID 117391546) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine
PubChem CID117391546
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine
SMILESCNCCc1ccccc1S(=O)(=O)C1COC1
InChIInChI=1S/C12H17NO3S/c1-13-7-6-10-4-2-3-5-12(10)17(14,15)11-8-16-9-11/h2-5,11,13H,6-9H2,1H3
InChIKeySQCCXEAROVTQKI-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]hydroxylamine
CID 117359913
2-(oxetan-3-ylsulfonyl)phenol
CID 84680337
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
CID 116613219
2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine
CID 117334335
[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774377
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
CID 117355562
N-methyl-2-[2-(methylamino)ethyl]-N-(oxan-4-yl)benzamide
CID 104547501
3-(2-cyclobutylsulfonylphenyl)propanoic acid
CID 117424665
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
2-(2-bromophenyl)-N-methylethanamine
CID 11964124

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine (CID 117391546) is N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine is CNCCc1ccccc1S(=O)(=O)C1COC1.
What is the InChIKey of N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine?
The InChIKey is SQCCXEAROVTQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-13-7-6-10-4-2-3-5-12(10)17(14,15)11-8-16-9-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine?
N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine has a molecular weight of 255.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine is sourced from PubChem (CID 117391546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).