2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride

C12H24ClNOS — CID 117226220

IUPAC2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C)(C2CCSCC2)OC1.Cl
InChIInChI=1S/C12H23NOS.ClH/c1-11(2)8-13-12(3,14-9-11)10-4-6-15-7-5-10;/h10,13H,4-9H2,1-3H3;1H
InChIKeyCVVYFJMUYDXZOV-UHFFFAOYSA-N
MW265.85 g/mol
LogP2.91
Rot. Bonds1

About 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride

2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride (PubChem CID 117226220) has the molecular formula C12H24ClNOS and a molecular weight of 265.85 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride
PubChem CID117226220
Molecular FormulaC12H24ClNOS
Molecular Weight265.85 g/mol
Exact Mass265.13
IUPAC Name2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C)(C2CCSCC2)OC1.Cl
InChIInChI=1S/C12H23NOS.ClH/c1-11(2)8-13-12(3,14-9-11)10-4-6-15-7-5-10;/h10,13H,4-9H2,1-3H3;1H
InChIKeyCVVYFJMUYDXZOV-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.85
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;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 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride?
The IUPAC name of 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride (CID 117226220) is 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride is CC1(C)CNC(C)(C2CCSCC2)OC1.Cl.
What is the InChIKey of 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride?
The InChIKey is CVVYFJMUYDXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS.ClH/c1-11(2)8-13-12(3,14-9-11)10-4-6-15-7-5-10;/h10,13H,4-9H2,1-3H3;1H.
What are the key properties of 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride?
2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride has a molecular weight of 265.85 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).