methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate

C12H16O3S — CID 59809197

IUPACmethyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CSc1ccccc1OC
InChIInChI=1S/C12H16O3S/c1-9(12(13)15-3)8-16-11-7-5-4-6-10(11)14-2/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyWMWHYFFQZUFJQL-VIFPVBQESA-N
MW240.32 g/mol
LogP2.60
Rot. Bonds5

About methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate

methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate (PubChem CID 59809197) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
PubChem CID59809197
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Namemethyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CSc1ccccc1OC
InChIInChI=1S/C12H16O3S/c1-9(12(13)15-3)8-16-11-7-5-4-6-10(11)14-2/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyWMWHYFFQZUFJQL-VIFPVBQESA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(2-methylsulfonylphenyl)sulfanylpropanoate
CID 66114446
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119776282
2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide
CID 119319309
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119776281
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
3-[[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]amino]propanoic acid
CID 154802130
1-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]cyclopentane-1-carboxamide
CID 119319307
methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-methylpropanoate
CID 61318042
methyl 2-methyl-3-quinolin-4-ylsulfanylpropanoate
CID 66115356
1,3-bis[(2-methoxyphenyl)sulfanyl]urea
CID 123582415
methyl 3-(4-hydroxyphenyl)sulfanyl-2-methylpropanoate
CID 61030599
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate (CID 59809197) is methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate is COC(=O)[C@@H](C)CSc1ccccc1OC.
What is the InChIKey of methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate?
The InChIKey is WMWHYFFQZUFJQL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O3S/c1-9(12(13)15-3)8-16-11-7-5-4-6-10(11)14-2/h4-7,9H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate?
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate has a molecular weight of 240.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate is sourced from PubChem (CID 59809197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).