[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine

C13H15NO4S — CID 62486299

IUPAC[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
SMILESCS(=O)(=O)c1ccc(OCc2occc2CN)cc1
InChIInChI=1S/C13H15NO4S/c1-19(15,16)12-4-2-11(3-5-12)18-9-13-10(8-14)6-7-17-13/h2-7H,8-9,14H2,1H3
InChIKeyBHQZVTLMKSHEEJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.72
Rot. Bonds5

About [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine

[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 62486299) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
PubChem CID62486299
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
SMILESCS(=O)(=O)c1ccc(OCc2occc2CN)cc1
InChIInChI=1S/C13H15NO4S/c1-19(15,16)12-4-2-11(3-5-12)18-9-13-10(8-14)6-7-17-13/h2-7H,8-9,14H2,1H3
InChIKeyBHQZVTLMKSHEEJ-UHFFFAOYSA-N
XLogP1.72
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
CID 62454775
[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 64763561
[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 63984257
[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729
N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62484329
2-[(4-methylsulfonylphenoxy)methyl]aniline
CID 43806870
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62454073
5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine
CID 103058824
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine (CID 62486299) is [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine is CS(=O)(=O)c1ccc(OCc2occc2CN)cc1.
What is the InChIKey of [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is BHQZVTLMKSHEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-19(15,16)12-4-2-11(3-5-12)18-9-13-10(8-14)6-7-17-13/h2-7H,8-9,14H2,1H3.
What are the key properties of [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine?
[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62486299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).