ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate

C15H17NO3S2 — CID 78991939

IUPACethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc2sccc2s1
InChIInChI=1S/C15H17NO3S2/c1-2-19-15(18)10-5-3-4-7-16(10)14(17)13-9-12-11(21-13)6-8-20-12/h6,8-10H,2-5,7H2,1H3
InChIKeySCLVRRNPGYGDPC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.52
Rot. Bonds3

About ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate

ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate (PubChem CID 78991939) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
PubChem CID78991939
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Nameethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc2sccc2s1
InChIInChI=1S/C15H17NO3S2/c1-2-19-15(18)10-5-3-4-7-16(10)14(17)13-9-12-11(21-13)6-8-20-12/h6,8-10H,2-5,7H2,1H3
InChIKeySCLVRRNPGYGDPC-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
[2-(1-aminoethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80745111
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656
[2-(hydroxymethyl)azepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 116636360
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
CID 79461401
[2-(bromomethyl)azepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 116639438
ethyl (2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidine-2-carboxylate
CID 52812103
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
CID 122159396
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate (CID 78991939) is ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cc2sccc2s1.
What is the InChIKey of ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is SCLVRRNPGYGDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-2-19-15(18)10-5-3-4-7-16(10)14(17)13-9-12-11(21-13)6-8-20-12/h6,8-10H,2-5,7H2,1H3.
What are the key properties of ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate?
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 78991939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).