2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride

C11H20ClN3O3S — CID 164885787

IUPAC2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
SMILESCl.NCCOc1cnn(S(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C11H19N3O3S.ClH/c12-6-7-17-10-8-13-14(9-10)18(15,16)11-4-2-1-3-5-11;/h8-9,11H,1-7,12H2;1H
InChIKeyNPUFZKODOYINMF-UHFFFAOYSA-N
MW309.82 g/mol
LogP1.15
Rot. Bonds5

About 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride

2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride (PubChem CID 164885787) has the molecular formula C11H20ClN3O3S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
PubChem CID164885787
Molecular FormulaC11H20ClN3O3S
Molecular Weight309.82 g/mol
Exact Mass309.09
IUPAC Name2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
SMILESCl.NCCOc1cnn(S(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C11H19N3O3S.ClH/c12-6-7-17-10-8-13-14(9-10)18(15,16)11-4-2-1-3-5-11;/h8-9,11H,1-7,12H2;1H
InChIKeyNPUFZKODOYINMF-UHFFFAOYSA-N
XLogP1.15
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride 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 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The IUPAC name of 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride (CID 164885787) is 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The canonical SMILES for 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride is Cl.NCCOc1cnn(S(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
The InChIKey is NPUFZKODOYINMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S.ClH/c12-6-7-17-10-8-13-14(9-10)18(15,16)11-4-2-1-3-5-11;/h8-9,11H,1-7,12H2;1H.
What are the key properties of 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride?
2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 164885787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).