3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine

C11H17NS — CID 143862265

IUPAC3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine
SMILESCN1CCSCC1C1=CCCC=C1
InChIInChI=1S/C11H17NS/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10/h3,5-6,11H,2,4,7-9H2,1H3
InChIKeyZCWYDTRJTWGQCR-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.31
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine

3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine (PubChem CID 143862265) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine
PubChem CID143862265
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine
SMILESCN1CCSCC1C1=CCCC=C1
InChIInChI=1S/C11H17NS/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10/h3,5-6,11H,2,4,7-9H2,1H3
InChIKeyZCWYDTRJTWGQCR-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine 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-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine (CID 143862265) is 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine is CN1CCSCC1C1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine?
The InChIKey is ZCWYDTRJTWGQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10/h3,5-6,11H,2,4,7-9H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine?
3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine has a molecular weight of 195.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine is sourced from PubChem (CID 143862265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).