[1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine

C11H23NO3S — CID 65050662

IUPAC[1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine
SMILESCS(=O)(=O)CCCOC1(CN)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-16(13,14)9-5-8-15-11(10-12)6-3-2-4-7-11/h2-10,12H2,1H3
InChIKeyIGMLWXCQXNGCDK-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.10
Rot. Bonds6

About [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine

[1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine (PubChem CID 65050662) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine
PubChem CID65050662
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name[1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine
SMILESCS(=O)(=O)CCCOC1(CN)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-16(13,14)9-5-8-15-11(10-12)6-3-2-4-7-11/h2-10,12H2,1H3
InChIKeyIGMLWXCQXNGCDK-UHFFFAOYSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine (CID 65050662) is [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine is CS(=O)(=O)CCCOC1(CN)CCCCC1.
What is the InChIKey of [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine?
The InChIKey is IGMLWXCQXNGCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-16(13,14)9-5-8-15-11(10-12)6-3-2-4-7-11/h2-10,12H2,1H3.
What are the key properties of [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine?
[1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine has a molecular weight of 249.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylpropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65050662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).