1-cyclohexyl-2-methylsulfonylethanamine

C9H19NO2S — CID 68564270

IUPAC1-cyclohexyl-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)C1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h8-9H,2-7,10H2,1H3
InChIKeyHEEGAIBRIFPBQI-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds3

About 1-cyclohexyl-2-methylsulfonylethanamine

1-cyclohexyl-2-methylsulfonylethanamine (PubChem CID 68564270) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-methylsulfonylethanamine
PubChem CID68564270
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-cyclohexyl-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)C1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h8-9H,2-7,10H2,1H3
InChIKeyHEEGAIBRIFPBQI-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylsulfonylethanamine?
The IUPAC name of 1-cyclohexyl-2-methylsulfonylethanamine (CID 68564270) is 1-cyclohexyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-cyclohexyl-2-methylsulfonylethanamine is CS(=O)(=O)CC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylsulfonylethanamine?
The InChIKey is HEEGAIBRIFPBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-cyclohexyl-2-methylsulfonylethanamine?
1-cyclohexyl-2-methylsulfonylethanamine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylsulfonylethanamine is sourced from PubChem (CID 68564270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).