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

C14H19NO3S — CID 2338015

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCC1CCCCC1
InChIInChI=1S/C14H19NO3S/c16-13(15-9-11-5-2-1-3-6-11)10-18-14(17)12-7-4-8-19-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyQUJQNHBFHLDJJZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.60
Rot. Bonds5

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

[2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2338015) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2338015
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCC1CCCCC1
InChIInChI=1S/C14H19NO3S/c16-13(15-9-11-5-2-1-3-6-11)10-18-14(17)12-7-4-8-19-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyQUJQNHBFHLDJJZ-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-(Cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2355136
[2-(Cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2407246
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[2-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
[2-(Cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432541
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-difluorobenzoate
CID 2481084
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
Thiophene-2-carboxylic acid 1-cyclopropylcarbamoyl-ethyl ester
CID 3227620
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 2338015) is [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is QUJQNHBFHLDJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-13(15-9-11-5-2-1-3-6-11)10-18-14(17)12-7-4-8-19-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2338015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).