(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate

C13H19NO2S — CID 61308692

IUPAC(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate
SMILESCCC1CCCCC1OC(=O)c1sccc1N
InChIInChI=1S/C13H19NO2S/c1-2-9-5-3-4-6-11(9)16-13(15)12-10(14)7-8-17-12/h7-9,11H,2-6,14H2,1H3
InChIKeyPHHNXHMLTKWYBC-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.46
Rot. Bonds3

About (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate

(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate (PubChem CID 61308692) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate
PubChem CID61308692
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate
SMILESCCC1CCCCC1OC(=O)c1sccc1N
InChIInChI=1S/C13H19NO2S/c1-2-9-5-3-4-6-11(9)16-13(15)12-10(14)7-8-17-12/h7-9,11H,2-6,14H2,1H3
InChIKeyPHHNXHMLTKWYBC-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate
CID 81414121
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
(2-ethylcyclohexyl) 2-amino-3-methylbenzoate
CID 63446967
1-(3-bromothiophen-2-yl)-2-(2-ethylcyclohexyl)oxyethanone
CID 43798171
(2-ethylcyclohexyl) 2-amino-3-bromobenzoate
CID 63539694
(2-ethylcyclohexyl) 5-amino-2-(dimethylamino)benzoate
CID 61308311
2-cyclohexylethyl 3-aminothiophene-2-carboxylate
CID 114192372
(2-ethylcyclohexyl) 2-amino-5-nitrobenzoate
CID 63540450
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053
(2-ethylcyclohexyl) 4-amino-1H-pyrrole-2-carboxylate
CID 61310432
(2-ethylcyclohexyl) 4-(methylsulfonylmethyl)benzoate
CID 86975743
(2-ethylcyclohexyl) 6-bromopyridine-2-carboxylate
CID 103889501

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate (CID 61308692) is (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate is CCC1CCCCC1OC(=O)c1sccc1N.
What is the InChIKey of (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate?
The InChIKey is PHHNXHMLTKWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-9-5-3-4-6-11(9)16-13(15)12-10(14)7-8-17-12/h7-9,11H,2-6,14H2,1H3.
What are the key properties of (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate?
(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 61308692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).