ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate

C10H13NO2S2 — CID 2451365

IUPACethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate
SMILESCCOC(=O)c1c(N)sc2c1CCCS2
InChIInChI=1S/C10H13NO2S2/c1-2-13-9(12)7-6-4-3-5-14-10(6)15-8(7)11/h2-5,11H2,1H3
InChIKeyLABKGAIXIOECKO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.55
Rot. Bonds2

About ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate

ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate (PubChem CID 2451365) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate
PubChem CID2451365
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Nameethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate
SMILESCCOC(=O)c1c(N)sc2c1CCCS2
InChIInChI=1S/C10H13NO2S2/c1-2-13-9(12)7-6-4-3-5-14-10(6)15-8(7)11/h2-5,11H2,1H3
InChIKeyLABKGAIXIOECKO-UHFFFAOYSA-N
XLogP2.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 78262
ethyl 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carboxylate
CID 4961635
Ethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
CID 3761339
ethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-3-carboxylate
CID 2998518
Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
CID 597279
Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2756552
methyl 2-amino-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
CID 974814
Ethyl 2-amino-4,5-dimethyl3-thenoate
CID 78536
Methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
CID 638858
Ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
CID 673140
Methyl 2-amino-4-cyclopropylthiophene-3-carboxylate
CID 5325006
Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate
CID 819623

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate?
The IUPAC name of ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate (CID 2451365) is ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate is CCOC(=O)c1c(N)sc2c1CCCS2.
What is the InChIKey of ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate?
The InChIKey is LABKGAIXIOECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-2-13-9(12)7-6-4-3-5-14-10(6)15-8(7)11/h2-5,11H2,1H3.
What are the key properties of ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate?
ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate is sourced from PubChem (CID 2451365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).