2-phenyl-1,3-thiazinane;hydrochloride

C10H14ClNS — CID 3061411

IUPAC2-phenyl-1,3-thiazinane;hydrochloride
SMILESCl.c1ccc(C2NCCCS2)cc1
InChIInChI=1S/C10H13NS.ClH/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h1-3,5-6,10-11H,4,7-8H2;1H
InChIKeyLVNNITLWZVJKBU-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.83
Rot. Bonds1

About 2-phenyl-1,3-thiazinane;hydrochloride

2-phenyl-1,3-thiazinane;hydrochloride (PubChem CID 3061411) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-phenyl-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-phenyl-1,3-thiazinane;hydrochloride
PubChem CID3061411
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-phenyl-1,3-thiazinane;hydrochloride
SMILESCl.c1ccc(C2NCCCS2)cc1
InChIInChI=1S/C10H13NS.ClH/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h1-3,5-6,10-11H,4,7-8H2;1H
InChIKeyLVNNITLWZVJKBU-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1,3-thiazinane;hydrochloride 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-phenyl-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-phenyl-1,3-thiazinane;hydrochloride (CID 3061411) is 2-phenyl-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-phenyl-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-phenyl-1,3-thiazinane;hydrochloride is Cl.c1ccc(C2NCCCS2)cc1.
What is the InChIKey of 2-phenyl-1,3-thiazinane;hydrochloride?
The InChIKey is LVNNITLWZVJKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.ClH/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h1-3,5-6,10-11H,4,7-8H2;1H.
What are the key properties of 2-phenyl-1,3-thiazinane;hydrochloride?
2-phenyl-1,3-thiazinane;hydrochloride has a molecular weight of 215.75 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).