methyl 2-amino-4-propylthiophene-3-carboxylate

C9H13NO2S — CID 10559922

IUPACmethyl 2-amino-4-propylthiophene-3-carboxylate
SMILESCCCc1csc(N)c1C(=O)OC
InChIInChI=1S/C9H13NO2S/c1-3-4-6-5-13-8(10)7(6)9(11)12-2/h5H,3-4,10H2,1-2H3
InChIKeyFNNMFHKJUZRALM-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-amino-4-propylthiophene-3-carboxylate

methyl 2-amino-4-propylthiophene-3-carboxylate (PubChem CID 10559922) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl 2-amino-4-propylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-propylthiophene-3-carboxylate
PubChem CID10559922
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl 2-amino-4-propylthiophene-3-carboxylate
SMILESCCCc1csc(N)c1C(=O)OC
InChIInChI=1S/C9H13NO2S/c1-3-4-6-5-13-8(10)7(6)9(11)12-2/h5H,3-4,10H2,1-2H3
InChIKeyFNNMFHKJUZRALM-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
CID 15889788
methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate
CID 15889784
ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
CID 70892196
ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
methyl 2-amino-4-cyclopentylthiophene-3-carboxylate
CID 62633873
methyl 2-amino-4-cyanatothiophene-3-carboxylate
CID 142637938
2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 70297607
methyl 4-(1-adamantyl)-2-aminothiophene-3-carboxylate
CID 29037449
2-amino-4-(2-aminoethyl)-N,N-dimethylthiophene-3-carboxamide
CID 82508680
methyl 4-amino-2-methylthiophene-3-carboxylate
CID 12710776
methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate
CID 114080591
ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate
CID 82056859

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-propylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-propylthiophene-3-carboxylate (CID 10559922) is methyl 2-amino-4-propylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-propylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-propylthiophene-3-carboxylate is CCCc1csc(N)c1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-propylthiophene-3-carboxylate?
The InChIKey is FNNMFHKJUZRALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-4-6-5-13-8(10)7(6)9(11)12-2/h5H,3-4,10H2,1-2H3.
What are the key properties of methyl 2-amino-4-propylthiophene-3-carboxylate?
methyl 2-amino-4-propylthiophene-3-carboxylate has a molecular weight of 199.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-propylthiophene-3-carboxylate is sourced from PubChem (CID 10559922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).