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

C11H19N3O3S — CID 164885788

IUPAC2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine
SMILESNCCOc1cnn(S(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C11H19N3O3S/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
InChIKeyQWVHFVONRUKPCR-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.73
Rot. Bonds5

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

2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine (PubChem CID 164885788) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine
PubChem CID164885788
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine
SMILESNCCOc1cnn(S(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C11H19N3O3S/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
InChIKeyQWVHFVONRUKPCR-UHFFFAOYSA-N
XLogP0.73
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine?
The IUPAC name of 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine (CID 164885788) is 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine is NCCOc1cnn(S(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine?
The InChIKey is QWVHFVONRUKPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/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.
What are the key properties of 2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine?
2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine has a molecular weight of 273.36 g/mol, XLogP of 0.73, 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 is sourced from PubChem (CID 164885788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).