methyl 3-amino-2H-thiophene-3-carboxylate

C6H9NO2S — CID 22349675

IUPACmethyl 3-amino-2H-thiophene-3-carboxylate
SMILESCOC(=O)C1(N)C=CSC1
InChIInChI=1S/C6H9NO2S/c1-9-5(8)6(7)2-3-10-4-6/h2-3H,4,7H2,1H3
InChIKeySKEGRQOJWISPCF-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.12
Rot. Bonds1

About methyl 3-amino-2H-thiophene-3-carboxylate

methyl 3-amino-2H-thiophene-3-carboxylate (PubChem CID 22349675) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is methyl 3-amino-2H-thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2H-thiophene-3-carboxylate
PubChem CID22349675
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Namemethyl 3-amino-2H-thiophene-3-carboxylate
SMILESCOC(=O)C1(N)C=CSC1
InChIInChI=1S/C6H9NO2S/c1-9-5(8)6(7)2-3-10-4-6/h2-3H,4,7H2,1H3
InChIKeySKEGRQOJWISPCF-UHFFFAOYSA-N
XLogP0.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2H-thiophene-3-carboxylate?
The IUPAC name of methyl 3-amino-2H-thiophene-3-carboxylate (CID 22349675) is methyl 3-amino-2H-thiophene-3-carboxylate.
What is the SMILES notation for methyl 3-amino-2H-thiophene-3-carboxylate?
The canonical SMILES for methyl 3-amino-2H-thiophene-3-carboxylate is COC(=O)C1(N)C=CSC1.
What is the InChIKey of methyl 3-amino-2H-thiophene-3-carboxylate?
The InChIKey is SKEGRQOJWISPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-9-5(8)6(7)2-3-10-4-6/h2-3H,4,7H2,1H3.
What are the key properties of methyl 3-amino-2H-thiophene-3-carboxylate?
methyl 3-amino-2H-thiophene-3-carboxylate has a molecular weight of 159.21 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2H-thiophene-3-carboxylate is sourced from PubChem (CID 22349675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).