4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol

C15H23NO3S — CID 43193965

IUPAC4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCC(O)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-11(16-13-5-7-14(17)8-6-13)12-3-9-15(10-4-12)20(2,18)19/h3-4,9-11,13-14,16-17H,5-8H2,1-2H3
InChIKeyVQVMYHRQSXIYNR-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.04
Rot. Bonds4

About 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol

4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol (PubChem CID 43193965) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol
PubChem CID43193965
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCC(O)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-11(16-13-5-7-14(17)8-6-13)12-3-9-15(10-4-12)20(2,18)19/h3-4,9-11,13-14,16-17H,5-8H2,1-2H3
InChIKeyVQVMYHRQSXIYNR-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol (CID 43193965) is 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCC(O)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is VQVMYHRQSXIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(16-13-5-7-14(17)8-6-13)12-3-9-15(10-4-12)20(2,18)19/h3-4,9-11,13-14,16-17H,5-8H2,1-2H3.
What are the key properties of 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol?
4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylsulfonylphenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 43193965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).