ethane;methyl 4-aminothiophene-3-carboxylate

C8H13NO2S — CID 143551713

IUPACethane;methyl 4-aminothiophene-3-carboxylate
SMILESCC.COC(=O)c1cscc1N
InChIInChI=1S/C6H7NO2S.C2H6/c1-9-6(8)4-2-10-3-5(4)7;1-2/h2-3H,7H2,1H3;1-2H3
InChIKeySUDVEBGESWQFPJ-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.14
Rot. Bonds1

About ethane;methyl 4-aminothiophene-3-carboxylate

ethane;methyl 4-aminothiophene-3-carboxylate (PubChem CID 143551713) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is ethane;methyl 4-aminothiophene-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-aminothiophene-3-carboxylate
PubChem CID143551713
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Nameethane;methyl 4-aminothiophene-3-carboxylate
SMILESCC.COC(=O)c1cscc1N
InChIInChI=1S/C6H7NO2S.C2H6/c1-9-6(8)4-2-10-3-5(4)7;1-2/h2-3H,7H2,1H3;1-2H3
InChIKeySUDVEBGESWQFPJ-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl thiophene-3,4-dicarboxylate
CID 58401193
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
2-(4-methoxycarbonylthiophen-3-yl)acetic acid
CID 138046216
methyl 4-(3-aminophenyl)thiophene-3-carboxylate
CID 117223546
methyl 4-butan-2-ylthiophene-3-carboxylate
CID 114748244
methyl 2,4-diamino-3-fluorobenzoate
CID 171030777
methyl 3,5-diamino-2-fluorobenzoate
CID 171024354
methyl 4-cyclohexylthiophene-3-carboxylate
CID 114748233
diethyl 2-[[(4-methoxycarbonylthiophen-3-yl)amino]methylidene]propanedioate
CID 126455488
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
ethane;methyl 3-amino-2-(methylamino)benzoate
CID 144759892

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-aminothiophene-3-carboxylate?
The IUPAC name of ethane;methyl 4-aminothiophene-3-carboxylate (CID 143551713) is ethane;methyl 4-aminothiophene-3-carboxylate.
What is the SMILES notation for ethane;methyl 4-aminothiophene-3-carboxylate?
The canonical SMILES for ethane;methyl 4-aminothiophene-3-carboxylate is CC.COC(=O)c1cscc1N.
What is the InChIKey of ethane;methyl 4-aminothiophene-3-carboxylate?
The InChIKey is SUDVEBGESWQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.C2H6/c1-9-6(8)4-2-10-3-5(4)7;1-2/h2-3H,7H2,1H3;1-2H3.
What are the key properties of ethane;methyl 4-aminothiophene-3-carboxylate?
ethane;methyl 4-aminothiophene-3-carboxylate has a molecular weight of 187.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-aminothiophene-3-carboxylate is sourced from PubChem (CID 143551713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).