2-(cyclohexylmethylsulfonyl)ethanamine

C9H19NO2S — CID 58684657

IUPAC2-(cyclohexylmethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C9H19NO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h9H,1-8,10H2
InChIKeyFQNIAWJSNPRFAQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds4

About 2-(cyclohexylmethylsulfonyl)ethanamine

2-(cyclohexylmethylsulfonyl)ethanamine (PubChem CID 58684657) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonyl)ethanamine
PubChem CID58684657
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(cyclohexylmethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C9H19NO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h9H,1-8,10H2
InChIKeyFQNIAWJSNPRFAQ-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 2-(cyclohexylmethylsulfonyl)ethanamine?
The IUPAC name of 2-(cyclohexylmethylsulfonyl)ethanamine (CID 58684657) is 2-(cyclohexylmethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(cyclohexylmethylsulfonyl)ethanamine?
The canonical SMILES for 2-(cyclohexylmethylsulfonyl)ethanamine is NCCS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylsulfonyl)ethanamine?
The InChIKey is FQNIAWJSNPRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h9H,1-8,10H2.
What are the key properties of 2-(cyclohexylmethylsulfonyl)ethanamine?
2-(cyclohexylmethylsulfonyl)ethanamine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonyl)ethanamine is sourced from PubChem (CID 58684657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).