4-(4-methylsulfonylphenoxy)cyclohexan-1-amine

C13H19NO3S — CID 55115555

IUPAC4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
SMILESCS(=O)(=O)c1ccc(OC2CCC(N)CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h6-11H,2-5,14H2,1H3
InChIKeyFNQYDIQWZWXSIK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.74
Rot. Bonds3

About 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine

4-(4-methylsulfonylphenoxy)cyclohexan-1-amine (PubChem CID 55115555) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
PubChem CID55115555
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
SMILESCS(=O)(=O)c1ccc(OC2CCC(N)CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h6-11H,2-5,14H2,1H3
InChIKeyFNQYDIQWZWXSIK-UHFFFAOYSA-N
XLogP1.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
The IUPAC name of 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine (CID 55115555) is 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine is CS(=O)(=O)c1ccc(OC2CCC(N)CC2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
The InChIKey is FNQYDIQWZWXSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h6-11H,2-5,14H2,1H3.
What are the key properties of 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 55115555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).