3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid

C11H17N3O4S — CID 102690752

IUPAC3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NS(=O)(=O)c2ccn[nH]2)(C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c1-8-3-2-5-11(7-8,10(15)16)14-19(17,18)9-4-6-12-13-9/h4,6,8,14H,2-3,5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyYHOJCAPCYKKCJV-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.72
Rot. Bonds4

About 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid

3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 102690752) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID102690752
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NS(=O)(=O)c2ccn[nH]2)(C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c1-8-3-2-5-11(7-8,10(15)16)14-19(17,18)9-4-6-12-13-9/h4,6,8,14H,2-3,5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyYHOJCAPCYKKCJV-UHFFFAOYSA-N
XLogP0.72
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid (CID 102690752) is 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid is CC1CCCC(NS(=O)(=O)c2ccn[nH]2)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is YHOJCAPCYKKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-3-2-5-11(7-8,10(15)16)14-19(17,18)9-4-6-12-13-9/h4,6,8,14H,2-3,5,7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid?
3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102690752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).