1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid

C12H15NO3S — CID 973284

IUPAC1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cccs1
InChIInChI=1S/C12H15NO3S/c14-10(9-5-4-8-17-9)13-12(11(15)16)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyVJDBZELGARDCBX-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds3

About 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid

1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 973284) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID973284
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cccs1
InChIInChI=1S/C12H15NO3S/c14-10(9-5-4-8-17-9)13-12(11(15)16)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyVJDBZELGARDCBX-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 973284) is 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cccs1.
What is the InChIKey of 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VJDBZELGARDCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-10(9-5-4-8-17-9)13-12(11(15)16)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid?
1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 973284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).