hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride

C11H16ClNS — CID 50986722

IUPAChydron;2-(4-methylphenyl)-1,3-thiazinane;chloride
SMILESCc1ccc(C2NCCCS2)cc1.[Cl-].[H+]
InChIInChI=1S/C11H15NS.ClH/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyRCUPVGZJNJUENQ-UHFFFAOYSA-N
MW229.78 g/mol
LogP-0.16
Rot. Bonds1

About hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride

hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride (PubChem CID 50986722) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride.

Molecular Properties

Compound Namehydron;2-(4-methylphenyl)-1,3-thiazinane;chloride
PubChem CID50986722
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Namehydron;2-(4-methylphenyl)-1,3-thiazinane;chloride
SMILESCc1ccc(C2NCCCS2)cc1.[Cl-].[H+]
InChIInChI=1S/C11H15NS.ClH/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKeyRCUPVGZJNJUENQ-UHFFFAOYSA-N
XLogP-0.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride?
The IUPAC name of hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride (CID 50986722) is hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride.
What is the SMILES notation for hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride?
The canonical SMILES for hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride is Cc1ccc(C2NCCCS2)cc1.[Cl-].[H+].
What is the InChIKey of hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride?
The InChIKey is RCUPVGZJNJUENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS.ClH/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11;/h3-6,11-12H,2,7-8H2,1H3;1H.
What are the key properties of hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride?
hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride has a molecular weight of 229.78 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride is sourced from PubChem (CID 50986722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).