tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate

C11H17NO2S — CID 19002032

IUPACtert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate
SMILESCc1ccsc1NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-8-5-6-15-10(8)12-7-9(13)14-11(2,3)4/h5-6,12H,7H2,1-4H3
InChIKeyWMWQZGLXAFTHAV-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate

tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate (PubChem CID 19002032) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate
PubChem CID19002032
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nametert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate
SMILESCc1ccsc1NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-8-5-6-15-10(8)12-7-9(13)14-11(2,3)4/h5-6,12H,7H2,1-4H3
InChIKeyWMWQZGLXAFTHAV-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate (CID 19002032) is tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate is Cc1ccsc1NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The InChIKey is WMWQZGLXAFTHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-5-6-15-10(8)12-7-9(13)14-11(2,3)4/h5-6,12H,7H2,1-4H3.
What are the key properties of tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate?
tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate has a molecular weight of 227.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate is sourced from PubChem (CID 19002032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).