2-cyclohex-3-en-1-ylsulfinylethanamine

C8H15NOS — CID 58684372

IUPAC2-cyclohex-3-en-1-ylsulfinylethanamine
SMILESNCCS(=O)C1CC=CCC1
InChIInChI=1S/C8H15NOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-2,8H,3-7,9H2
InChIKeyXXFNYTYSVVAPFE-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.80
Rot. Bonds3

About 2-cyclohex-3-en-1-ylsulfinylethanamine

2-cyclohex-3-en-1-ylsulfinylethanamine (PubChem CID 58684372) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylsulfinylethanamine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylsulfinylethanamine
PubChem CID58684372
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-cyclohex-3-en-1-ylsulfinylethanamine
SMILESNCCS(=O)C1CC=CCC1
InChIInChI=1S/C8H15NOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-2,8H,3-7,9H2
InChIKeyXXFNYTYSVVAPFE-UHFFFAOYSA-N
XLogP0.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohex-3-en-1-ylsulfinylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclopent-2-en-1-ylsulfinylpropan-1-amine
CID 58684044
2-Cyclopent-2-en-1-ylsulfinylethanamine
CID 58684091
2-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
3-Cyclohex-3-en-1-ylsulfanylpropan-1-amine
CID 58684239
3-Cyclopent-3-en-1-ylsulfanylpropan-1-amine
CID 58684245
2-Cyclopent-3-en-1-ylsulfinylethanamine
CID 58684426
2-Cyclohex-3-en-1-ylsulfanylethanamine
CID 58684471
3-Cyclopent-2-en-1-ylsulfonylpropan-1-amine
CID 58684489
2-Cyclopent-3-en-1-ylsulfonylethanamine
CID 58684514
3-Cyclohex-3-en-1-ylsulfonylpropan-1-amine
CID 58684559
2-Cyclohex-3-en-1-ylsulfonylethanamine
CID 58684735
3-Cyclohex-2-en-1-ylsulfanylpropan-1-amine
CID 58684758

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylsulfinylethanamine?
The IUPAC name of 2-cyclohex-3-en-1-ylsulfinylethanamine (CID 58684372) is 2-cyclohex-3-en-1-ylsulfinylethanamine.
What is the SMILES notation for 2-cyclohex-3-en-1-ylsulfinylethanamine?
The canonical SMILES for 2-cyclohex-3-en-1-ylsulfinylethanamine is NCCS(=O)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylsulfinylethanamine?
The InChIKey is XXFNYTYSVVAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-2,8H,3-7,9H2.
What are the key properties of 2-cyclohex-3-en-1-ylsulfinylethanamine?
2-cyclohex-3-en-1-ylsulfinylethanamine has a molecular weight of 173.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylsulfinylethanamine is sourced from PubChem (CID 58684372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).