1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C13H18N2O3S — CID 43646098

IUPAC1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccsc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O3S/c16-11(17)13(5-2-1-3-6-13)15-12(18)14-8-10-4-7-19-9-10/h4,7,9H,1-3,5-6,8H2,(H,16,17)(H2,14,15,18)
InChIKeyJAELFGJLPHLSNW-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.33
Rot. Bonds4

About 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 43646098) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID43646098
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccsc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O3S/c16-11(17)13(5-2-1-3-6-13)15-12(18)14-8-10-4-7-19-9-10/h4,7,9H,1-3,5-6,8H2,(H,16,17)(H2,14,15,18)
InChIKeyJAELFGJLPHLSNW-UHFFFAOYSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 43646098) is 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCc1ccsc1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JAELFGJLPHLSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11(17)13(5-2-1-3-6-13)15-12(18)14-8-10-4-7-19-9-10/h4,7,9H,1-3,5-6,8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43646098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).