methyl 3-(methylamino)thiophene-2-carboxylate

C7H9NO2S — CID 19005896

IUPACmethyl 3-(methylamino)thiophene-2-carboxylate
SMILESCNc1ccsc1C(=O)OC
InChIInChI=1S/C7H9NO2S/c1-8-5-3-4-11-6(5)7(9)10-2/h3-4,8H,1-2H3
InChIKeyOSKPFMSGZDCERA-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.58
Rot. Bonds2

About methyl 3-(methylamino)thiophene-2-carboxylate

methyl 3-(methylamino)thiophene-2-carboxylate (PubChem CID 19005896) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 3-(methylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylamino)thiophene-2-carboxylate
PubChem CID19005896
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 3-(methylamino)thiophene-2-carboxylate
SMILESCNc1ccsc1C(=O)OC
InChIInChI=1S/C7H9NO2S/c1-8-5-3-4-11-6(5)7(9)10-2/h3-4,8H,1-2H3
InChIKeyOSKPFMSGZDCERA-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 69175818
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate
CID 58125365
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
CID 43624381
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(methylamino)thiophene-2-carboxylate (CID 19005896) is methyl 3-(methylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(methylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(methylamino)thiophene-2-carboxylate is CNc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(methylamino)thiophene-2-carboxylate?
The InChIKey is OSKPFMSGZDCERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-8-5-3-4-11-6(5)7(9)10-2/h3-4,8H,1-2H3.
What are the key properties of methyl 3-(methylamino)thiophene-2-carboxylate?
methyl 3-(methylamino)thiophene-2-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)thiophene-2-carboxylate is sourced from PubChem (CID 19005896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).