N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine

C15H31NO3S — CID 65097074

IUPACN-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCCS(=O)(=O)CCCC1(CNCCOC)CCCCC1
InChIInChI=1S/C15H31NO3S/c1-3-20(17,18)13-7-10-15(8-5-4-6-9-15)14-16-11-12-19-2/h16H,3-14H2,1-2H3
InChIKeyIHEXMKFCLQTUON-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.39
Rot. Bonds10

About N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine

N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine (PubChem CID 65097074) has the molecular formula C15H31NO3S and a molecular weight of 305.48 g/mol. Its IUPAC name is N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
PubChem CID65097074
Molecular FormulaC15H31NO3S
Molecular Weight305.48 g/mol
Exact Mass305.20
IUPAC NameN-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCCS(=O)(=O)CCCC1(CNCCOC)CCCCC1
InChIInChI=1S/C15H31NO3S/c1-3-20(17,18)13-7-10-15(8-5-4-6-9-15)14-16-11-12-19-2/h16H,3-14H2,1-2H3
InChIKeyIHEXMKFCLQTUON-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.39
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 N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine (CID 65097074) is N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine is CCS(=O)(=O)CCCC1(CNCCOC)CCCCC1.
What is the InChIKey of N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine?
The InChIKey is IHEXMKFCLQTUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3S/c1-3-20(17,18)13-7-10-15(8-5-4-6-9-15)14-16-11-12-19-2/h16H,3-14H2,1-2H3.
What are the key properties of N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine?
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine has a molecular weight of 305.48 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65097074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).