cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate

C15H17NO2S2 — CID 93203929

IUPACcyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
SMILESNc1scc(-c2cccs2)c1C(=O)OC1CCCCC1
InChIInChI=1S/C15H17NO2S2/c16-14-13(11(9-20-14)12-7-4-8-19-12)15(17)18-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,16H2
InChIKeyCTFKWSCTNWZDTM-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.55
Rot. Bonds3

About cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate

cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 93203929) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID93203929
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Namecyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
SMILESNc1scc(-c2cccs2)c1C(=O)OC1CCCCC1
InChIInChI=1S/C15H17NO2S2/c16-14-13(11(9-20-14)12-7-4-8-19-12)15(17)18-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,16H2
InChIKeyCTFKWSCTNWZDTM-UHFFFAOYSA-N
XLogP4.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate (CID 93203929) is cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate is Nc1scc(-c2cccs2)c1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is CTFKWSCTNWZDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c16-14-13(11(9-20-14)12-7-4-8-19-12)15(17)18-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,16H2.
What are the key properties of cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 307.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 93203929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).