2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine

C10H21NO3S — CID 60920604

IUPAC2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-14-10-6-4-3-5-9(10)11-7-8-15(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyASPGTOFOVLDFAT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.58
Rot. Bonds5

About 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine

2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 60920604) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID60920604
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-14-10-6-4-3-5-9(10)11-7-8-15(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyASPGTOFOVLDFAT-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine 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 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 60920604) is 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine is COC1CCCCC1NCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is ASPGTOFOVLDFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-14-10-6-4-3-5-9(10)11-7-8-15(2,12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 60920604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).