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

C10H19NO2S — CID 65171650

IUPAC3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine
SMILESCS(=O)(=O)CCCC1=CC(N)CCC1
InChIInChI=1S/C10H19NO2S/c1-14(12,13)7-3-5-9-4-2-6-10(11)8-9/h8,10H,2-7,11H2,1H3
InChIKeyILXISZRRMYQXJA-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.25
Rot. Bonds4

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

3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine (PubChem CID 65171650) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine
PubChem CID65171650
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine
SMILESCS(=O)(=O)CCCC1=CC(N)CCC1
InChIInChI=1S/C10H19NO2S/c1-14(12,13)7-3-5-9-4-2-6-10(11)8-9/h8,10H,2-7,11H2,1H3
InChIKeyILXISZRRMYQXJA-UHFFFAOYSA-N
XLogP1.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-methylsulfonylpropyl)cyclohex-2-en-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 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine (CID 65171650) is 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine is CS(=O)(=O)CCCC1=CC(N)CCC1.
What is the InChIKey of 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine?
The InChIKey is ILXISZRRMYQXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14(12,13)7-3-5-9-4-2-6-10(11)8-9/h8,10H,2-7,11H2,1H3.
What are the key properties of 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine?
3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine has a molecular weight of 217.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65171650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).