[2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate

C13H17NO3S — CID 731957

IUPAC[2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C13H17NO3S/c15-12(14-10-5-2-1-3-6-10)9-17-13(16)11-7-4-8-18-11/h4,7-8,10H,1-3,5-6,9H2,(H,14,15)
InChIKeyPBZXYJNIIRCLQM-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.35
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 731957) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID731957
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C13H17NO3S/c15-12(14-10-5-2-1-3-6-10)9-17-13(16)11-7-4-8-18-11/h4,7-8,10H,1-3,5-6,9H2,(H,14,15)
InChIKeyPBZXYJNIIRCLQM-UHFFFAOYSA-N
XLogP2.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 731957) is [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is PBZXYJNIIRCLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(14-10-5-2-1-3-6-10)9-17-13(16)11-7-4-8-18-11/h4,7-8,10H,1-3,5-6,9H2,(H,14,15).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 731957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).