N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine

C14H27NOS — CID 55141700

IUPACN-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine
SMILESC1CCC(CNCCSC2CCOCC2)CC1
InChIInChI=1S/C14H27NOS/c1-2-4-13(5-3-1)12-15-8-11-17-14-6-9-16-10-7-14/h13-15H,1-12H2
InChIKeyFUZWMGHIQXGZNQ-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.07
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine

N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine (PubChem CID 55141700) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine
PubChem CID55141700
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine
SMILESC1CCC(CNCCSC2CCOCC2)CC1
InChIInChI=1S/C14H27NOS/c1-2-4-13(5-3-1)12-15-8-11-17-14-6-9-16-10-7-14/h13-15H,1-12H2
InChIKeyFUZWMGHIQXGZNQ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine (CID 55141700) is N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine is C1CCC(CNCCSC2CCOCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The InChIKey is FUZWMGHIQXGZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-2-4-13(5-3-1)12-15-8-11-17-14-6-9-16-10-7-14/h13-15H,1-12H2.
What are the key properties of N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine?
N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine has a molecular weight of 257.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine is sourced from PubChem (CID 55141700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).