1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid

C14H25NO4S — CID 61454000

IUPAC1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C14H25NO4S/c16-13(17)14(9-5-2-6-10-14)15-20(18,19)11-12-7-3-1-4-8-12/h12,15H,1-11H2,(H,16,17)
InChIKeyOYXOJJCSLKXAIH-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.27
Rot. Bonds5

About 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid

1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 61454000) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID61454000
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C14H25NO4S/c16-13(17)14(9-5-2-6-10-14)15-20(18,19)11-12-7-3-1-4-8-12/h12,15H,1-11H2,(H,16,17)
InChIKeyOYXOJJCSLKXAIH-UHFFFAOYSA-N
XLogP2.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
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-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid (CID 61454000) is 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)CC2CCCCC2)CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OYXOJJCSLKXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c16-13(17)14(9-5-2-6-10-14)15-20(18,19)11-12-7-3-1-4-8-12/h12,15H,1-11H2,(H,16,17).
What are the key properties of 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid?
1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61454000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).