2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine

C14H29NO3S — CID 63195650

IUPAC2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CCCS(C)(=O)=O)CCCCC1
InChIInChI=1S/C14H29NO3S/c1-18-11-10-15-13-14(7-4-3-5-8-14)9-6-12-19(2,16)17/h15H,3-13H2,1-2H3
InChIKeyRHDMJEQOEOTHDH-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.00
Rot. Bonds9

About 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine (PubChem CID 63195650) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
PubChem CID63195650
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(CCCS(C)(=O)=O)CCCCC1
InChIInChI=1S/C14H29NO3S/c1-18-11-10-15-13-14(7-4-3-5-8-14)9-6-12-19(2,16)17/h15H,3-13H2,1-2H3
InChIKeyRHDMJEQOEOTHDH-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.00
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)cyclobutyl]methyl]ethanamine
CID 65196474
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]ethanamine
CID 106730051
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
2-methoxy-N-[(1-methylsulfonylcyclohexyl)methyl]ethanamine
CID 62594737
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]propan-2-amine
CID 63195697
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine (CID 63195650) is 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine is COCCNCC1(CCCS(C)(=O)=O)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine?
The InChIKey is RHDMJEQOEOTHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-18-11-10-15-13-14(7-4-3-5-8-14)9-6-12-19(2,16)17/h15H,3-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine has a molecular weight of 291.46 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63195650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).