2-benzylthiomorpholine

C11H15NS — CID 21444292

IUPAC2-benzylthiomorpholine
SMILESc1ccc(CC2CNCCS2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2
InChIKeyIIMUARVOSAPLDJ-UHFFFAOYSA-N
MW193.32 g/mol
LogP1.93
Rot. Bonds2

About 2-benzylthiomorpholine

2-benzylthiomorpholine (PubChem CID 21444292) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 2-benzylthiomorpholine.

Molecular Properties

Compound Name2-benzylthiomorpholine
PubChem CID21444292
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name2-benzylthiomorpholine
SMILESc1ccc(CC2CNCCS2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2
InChIKeyIIMUARVOSAPLDJ-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzylthiomorpholine 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 2-benzylthiomorpholine?
The IUPAC name of 2-benzylthiomorpholine (CID 21444292) is 2-benzylthiomorpholine.
What is the SMILES notation for 2-benzylthiomorpholine?
The canonical SMILES for 2-benzylthiomorpholine is c1ccc(CC2CNCCS2)cc1.
What is the InChIKey of 2-benzylthiomorpholine?
The InChIKey is IIMUARVOSAPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2.
What are the key properties of 2-benzylthiomorpholine?
2-benzylthiomorpholine has a molecular weight of 193.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylthiomorpholine is sourced from PubChem (CID 21444292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).