methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate

C9H11NO3S2 — CID 19985479

IUPACmethyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccsc1SC
InChIInChI=1S/C9H11NO3S2/c1-13-7(11)5-10-8(12)6-3-4-15-9(6)14-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyAXXKBVQIFGPWQA-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.37
Rot. Bonds4

About methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate

methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate (PubChem CID 19985479) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate
PubChem CID19985479
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Namemethyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccsc1SC
InChIInChI=1S/C9H11NO3S2/c1-13-7(11)5-10-8(12)6-3-4-15-9(6)14-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyAXXKBVQIFGPWQA-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate (CID 19985479) is methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccsc1SC.
What is the InChIKey of methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate?
The InChIKey is AXXKBVQIFGPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-13-7(11)5-10-8(12)6-3-4-15-9(6)14-2/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate?
methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate has a molecular weight of 245.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylsulfanylthiophene-3-carbonyl)amino]acetate is sourced from PubChem (CID 19985479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).