[3-(methylsulfinylmethyl)furan-2-yl]methanamine

C7H11NO2S — CID 82503325

IUPAC[3-(methylsulfinylmethyl)furan-2-yl]methanamine
SMILESCS(=O)Cc1ccoc1CN
InChIInChI=1S/C7H11NO2S/c1-11(9)5-6-2-3-10-7(6)4-8/h2-3H,4-5,8H2,1H3
InChIKeyXKPLFOILGMAIFZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.62
Rot. Bonds3

About [3-(methylsulfinylmethyl)furan-2-yl]methanamine

[3-(methylsulfinylmethyl)furan-2-yl]methanamine (PubChem CID 82503325) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is [3-(methylsulfinylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(methylsulfinylmethyl)furan-2-yl]methanamine
PubChem CID82503325
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name[3-(methylsulfinylmethyl)furan-2-yl]methanamine
SMILESCS(=O)Cc1ccoc1CN
InChIInChI=1S/C7H11NO2S/c1-11(9)5-6-2-3-10-7(6)4-8/h2-3H,4-5,8H2,1H3
InChIKeyXKPLFOILGMAIFZ-UHFFFAOYSA-N
XLogP0.62
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725121
N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethylpropan-2-amine
CID 62419344
[2-(2-methylpropyl)furan-3-yl]methanamine
CID 82416814
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine
CID 112589909
1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine
CID 79680233
3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
CID 82507746
[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine
CID 121004432
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62454073
[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine
CID 62447546
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62450029
3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one
CID 82508445
[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 165477574

Frequently Asked Questions

What is the IUPAC name of [3-(methylsulfinylmethyl)furan-2-yl]methanamine?
The IUPAC name of [3-(methylsulfinylmethyl)furan-2-yl]methanamine (CID 82503325) is [3-(methylsulfinylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(methylsulfinylmethyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(methylsulfinylmethyl)furan-2-yl]methanamine is CS(=O)Cc1ccoc1CN.
What is the InChIKey of [3-(methylsulfinylmethyl)furan-2-yl]methanamine?
The InChIKey is XKPLFOILGMAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-11(9)5-6-2-3-10-7(6)4-8/h2-3H,4-5,8H2,1H3.
What are the key properties of [3-(methylsulfinylmethyl)furan-2-yl]methanamine?
[3-(methylsulfinylmethyl)furan-2-yl]methanamine has a molecular weight of 173.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylsulfinylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 82503325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).