methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate

C11H15NO2S — CID 63809087

IUPACmethyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate
SMILESCNCc1ccc(SCC(=O)OC)cc1
InChIInChI=1S/C11H15NO2S/c1-12-7-9-3-5-10(6-4-9)15-8-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyVJISRFXTIOTMBN-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.67
Rot. Bonds5

About methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate

methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate (PubChem CID 63809087) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate
PubChem CID63809087
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate
SMILESCNCc1ccc(SCC(=O)OC)cc1
InChIInChI=1S/C11H15NO2S/c1-12-7-9-3-5-10(6-4-9)15-8-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyVJISRFXTIOTMBN-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(aminomethyl)phenyl]sulfanylacetate
CID 63807676
methyl 2-[2-methyl-4-(methylaminomethyl)phenyl]sulfanylacetate
CID 63808376
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
methyl 2-(4-cyanophenyl)sulfanylacetate
CID 43409182
ethane;methyl 2-(4-bromophenyl)sulfanylacetate
CID 143770591
ethyl 2-[4-[(2-methoxyethylamino)methyl]phenyl]sulfanylacetate
CID 55240397
ethyl 2-[4-[(tert-butylamino)methyl]phenyl]sulfanylacetate
CID 63808211
2,4-bis[(2-methoxy-2-oxoethyl)sulfanyl]phenolate
CID 19356368
methyl 2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfanylacetate
CID 11142882
1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine
CID 103037423
tert-butyl 2-[[5-(methylaminomethyl)-2-pyridinyl]sulfanyl]acetate
CID 116687805
1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine
CID 63806587

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate?
The IUPAC name of methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate (CID 63809087) is methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate?
The canonical SMILES for methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate is CNCc1ccc(SCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate?
The InChIKey is VJISRFXTIOTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-7-9-3-5-10(6-4-9)15-8-11(13)14-2/h3-6,12H,7-8H2,1-2H3.
What are the key properties of methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate?
methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate has a molecular weight of 225.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate is sourced from PubChem (CID 63809087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).