methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate

C11H17NO2S — CID 10585413

IUPACmethyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate
SMILESCCC(C(=O)OC)(c1cccs1)N(C)C
InChIInChI=1S/C11H17NO2S/c1-5-11(12(2)3,10(13)14-4)9-7-6-8-15-9/h6-8H,5H2,1-4H3
InChIKeySTGRWDCIAODUFD-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.09
Rot. Bonds4

About methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate

methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate (PubChem CID 10585413) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate
PubChem CID10585413
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate
SMILESCCC(C(=O)OC)(c1cccs1)N(C)C
InChIInChI=1S/C11H17NO2S/c1-5-11(12(2)3,10(13)14-4)9-7-6-8-15-9/h6-8H,5H2,1-4H3
InChIKeySTGRWDCIAODUFD-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methoxy-2,2-dithiophen-2-ylacetate
CID 54080403
ethyl 2-methyl-2-thiophen-2-ylpropanoate
CID 21099804
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
methyl (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-thiophen-2-ylpropanoate
CID 18663502
methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
CID 118798449
3-ethoxy-2-methyl-3-oxo-2-thiophen-2-ylpropanoate
CID 71319693
N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride
CID 175823186
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
CID 115128321
2-(2-iodo-1-methoxy-1-thiophen-2-ylethyl)thiophene
CID 151590579
dimethyl (2R)-3-diazo-2-hydroxy-2-thiophen-2-ylbutanedioate
CID 164683814
1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870552
methyl 2-(2-chlorophenyl)-2-(ethylamino)-2-thiophen-2-ylacetate;hydrochloride
CID 67172929

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate?
The IUPAC name of methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate (CID 10585413) is methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate?
The canonical SMILES for methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate is CCC(C(=O)OC)(c1cccs1)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate?
The InChIKey is STGRWDCIAODUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-11(12(2)3,10(13)14-4)9-7-6-8-15-9/h6-8H,5H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate?
methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate has a molecular weight of 227.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-thiophen-2-ylbutanoate is sourced from PubChem (CID 10585413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).