methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate

C11H17NO5S2 — CID 96542176

IUPACmethyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(C)S(=O)(=O)c1sccc1OC
InChIInChI=1S/C11H17NO5S2/c1-8(10(13)17-4)7-12(2)19(14,15)11-9(16-3)5-6-18-11/h5-6,8H,7H2,1-4H3/t8-/m1/s1
InChIKeyWVXJRHMLESRXCC-MRVPVSSYSA-N
MW307.39 g/mol
LogP1.19
Rot. Bonds6

About methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate

methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate (PubChem CID 96542176) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate
PubChem CID96542176
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Namemethyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(C)S(=O)(=O)c1sccc1OC
InChIInChI=1S/C11H17NO5S2/c1-8(10(13)17-4)7-12(2)19(14,15)11-9(16-3)5-6-18-11/h5-6,8H,7H2,1-4H3/t8-/m1/s1
InChIKeyWVXJRHMLESRXCC-MRVPVSSYSA-N
XLogP1.19
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 71851196
N,N-diethyl-3-methoxythiophene-2-sulfonamide
CID 59654523
3-methoxy-N-methyl-N-(1-methylsulfinylpropan-2-yl)thiophene-2-sulfonamide
CID 75455817
methyl (2S)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 96542175
3-methoxy-N-methyl-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide
CID 97352552
3-methoxy-N-methyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide
CID 97352553
3-methoxy-N-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide
CID 97352554
3-methoxy-N-methyl-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]thiophene-2-sulfonamide
CID 97352555
2-[(3-Methoxythiophen-2-yl)sulfonyl-methylamino]acetic acid
CID 120081732
3-[(3-Methoxythiophen-2-yl)sulfonylamino]propanoic acid
CID 120082684
1-(3-Methoxythiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 120082904
2-[(3-Methoxythiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 120083797

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate (CID 96542176) is methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate is COC(=O)[C@H](C)CN(C)S(=O)(=O)c1sccc1OC.
What is the InChIKey of methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
The InChIKey is WVXJRHMLESRXCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-8(10(13)17-4)7-12(2)19(14,15)11-9(16-3)5-6-18-11/h5-6,8H,7H2,1-4H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate has a molecular weight of 307.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(3-methoxythiophen-2-yl)sulfonyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 96542176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).