[1-(2-methylsulfonylethoxy)cyclohexyl]methanamine

C10H21NO3S — CID 65050930

IUPAC[1-(2-methylsulfonylethoxy)cyclohexyl]methanamine
SMILESCS(=O)(=O)CCOC1(CN)CCCCC1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-7-14-10(9-11)5-3-2-4-6-10/h2-9,11H2,1H3
InChIKeyPJRKXCLPOONGDE-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds5

About [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine

[1-(2-methylsulfonylethoxy)cyclohexyl]methanamine (PubChem CID 65050930) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-methylsulfonylethoxy)cyclohexyl]methanamine
PubChem CID65050930
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name[1-(2-methylsulfonylethoxy)cyclohexyl]methanamine
SMILESCS(=O)(=O)CCOC1(CN)CCCCC1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-7-14-10(9-11)5-3-2-4-6-10/h2-9,11H2,1H3
InChIKeyPJRKXCLPOONGDE-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine (CID 65050930) is [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine is CS(=O)(=O)CCOC1(CN)CCCCC1.
What is the InChIKey of [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine?
The InChIKey is PJRKXCLPOONGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(12,13)8-7-14-10(9-11)5-3-2-4-6-10/h2-9,11H2,1H3.
What are the key properties of [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine?
[1-(2-methylsulfonylethoxy)cyclohexyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfonylethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65050930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).