2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine

C11H23NO3S — CID 62594737

IUPAC2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine
SMILESCOCCNCC1(S(C)(=O)=O)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-15-9-8-12-10-11(16(2,13)14)6-4-3-5-7-11/h12H,3-10H2,1-2H3
InChIKeyPSOHOZYJGXRTBJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds6

About 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine

2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine (PubChem CID 62594737) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine
PubChem CID62594737
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine
SMILESCOCCNCC1(S(C)(=O)=O)CCCCC1
InChIInChI=1S/C11H23NO3S/c1-15-9-8-12-10-11(16(2,13)14)6-4-3-5-7-11/h12H,3-10H2,1-2H3
InChIKeyPSOHOZYJGXRTBJ-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 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 ≤ 50.97
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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Related Compounds

2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
CID 63195650
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]ethanamine
CID 106730051
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine (CID 62594737) is 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine is COCCNCC1(S(C)(=O)=O)CCCCC1.
What is the InChIKey of 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine?
The InChIKey is PSOHOZYJGXRTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-15-9-8-12-10-11(16(2,13)14)6-4-3-5-7-11/h12H,3-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine?
2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 62594737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).