2-aminothiophene-3-carboxylic acid;cyclohexane

C11H17NO2S — CID 22053869

IUPAC2-aminothiophene-3-carboxylic acid;cyclohexane
SMILESC1CCCCC1.Nc1sccc1C(=O)O
InChIInChI=1S/C6H12.C5H5NO2S/c1-2-4-6-5-3-1;6-4-3(5(7)8)1-2-9-4/h1-6H2;1-2H,6H2,(H,7,8)
InChIKeyKIWJPSDMPWJIKI-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.37
Rot. Bonds1

About 2-aminothiophene-3-carboxylic acid;cyclohexane

2-aminothiophene-3-carboxylic acid;cyclohexane (PubChem CID 22053869) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-aminothiophene-3-carboxylic acid;cyclohexane.

Molecular Properties

Compound Name2-aminothiophene-3-carboxylic acid;cyclohexane
PubChem CID22053869
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-aminothiophene-3-carboxylic acid;cyclohexane
SMILESC1CCCCC1.Nc1sccc1C(=O)O
InChIInChI=1S/C6H12.C5H5NO2S/c1-2-4-6-5-3-1;6-4-3(5(7)8)1-2-9-4/h1-6H2;1-2H,6H2,(H,7,8)
InChIKeyKIWJPSDMPWJIKI-UHFFFAOYSA-N
XLogP3.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminothiophene-3-carboxylic acid;cyclohexane?
The IUPAC name of 2-aminothiophene-3-carboxylic acid;cyclohexane (CID 22053869) is 2-aminothiophene-3-carboxylic acid;cyclohexane.
What is the SMILES notation for 2-aminothiophene-3-carboxylic acid;cyclohexane?
The canonical SMILES for 2-aminothiophene-3-carboxylic acid;cyclohexane is C1CCCCC1.Nc1sccc1C(=O)O.
What is the InChIKey of 2-aminothiophene-3-carboxylic acid;cyclohexane?
The InChIKey is KIWJPSDMPWJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H5NO2S/c1-2-4-6-5-3-1;6-4-3(5(7)8)1-2-9-4/h1-6H2;1-2H,6H2,(H,7,8).
What are the key properties of 2-aminothiophene-3-carboxylic acid;cyclohexane?
2-aminothiophene-3-carboxylic acid;cyclohexane has a molecular weight of 227.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminothiophene-3-carboxylic acid;cyclohexane is sourced from PubChem (CID 22053869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).