3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine

C9H17NO2S — CID 65172106

IUPAC3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine
SMILESCS(=O)(=O)CCC1=CC(N)CCC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)6-5-8-3-2-4-9(10)7-8/h7,9H,2-6,10H2,1H3
InChIKeyZLTMTTGBZFWBPA-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.86
Rot. Bonds3

About 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine

3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine (PubChem CID 65172106) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine
PubChem CID65172106
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine
SMILESCS(=O)(=O)CCC1=CC(N)CCC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)6-5-8-3-2-4-9(10)7-8/h7,9H,2-6,10H2,1H3
InChIKeyZLTMTTGBZFWBPA-UHFFFAOYSA-N
XLogP0.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine (CID 65172106) is 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine is CS(=O)(=O)CCC1=CC(N)CCC1.
What is the InChIKey of 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine?
The InChIKey is ZLTMTTGBZFWBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(11,12)6-5-8-3-2-4-9(10)7-8/h7,9H,2-6,10H2,1H3.
What are the key properties of 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine?
3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine has a molecular weight of 203.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65172106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).