3,3-dimethyl-1,3-thiazinan-3-ium

C6H14NS+ — CID 123238193

IUPAC3,3-dimethyl-1,3-thiazinan-3-ium
SMILESC[N+]1(C)CCCSC1
InChIInChI=1S/C6H14NS/c1-7(2)4-3-5-8-6-7/h3-6H2,1-2H3/q+1
InChIKeyLYITXIVETYVPFG-UHFFFAOYSA-N
MW132.25 g/mol
LogP1.16
Rot. Bonds

About 3,3-dimethyl-1,3-thiazinan-3-ium

3,3-dimethyl-1,3-thiazinan-3-ium (PubChem CID 123238193) has the molecular formula C6H14NS+ and a molecular weight of 132.25 g/mol. Its IUPAC name is 3,3-dimethyl-1,3-thiazinan-3-ium.

Molecular Properties

Compound Name3,3-dimethyl-1,3-thiazinan-3-ium
PubChem CID123238193
Molecular FormulaC6H14NS+
Molecular Weight132.25 g/mol
Exact Mass132.08
IUPAC Name3,3-dimethyl-1,3-thiazinan-3-ium
SMILESC[N+]1(C)CCCSC1
InChIInChI=1S/C6H14NS/c1-7(2)4-3-5-8-6-7/h3-6H2,1-2H3/q+1
InChIKeyLYITXIVETYVPFG-UHFFFAOYSA-N
XLogP1.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,3-thiazinan-3-ium?
The IUPAC name of 3,3-dimethyl-1,3-thiazinan-3-ium (CID 123238193) is 3,3-dimethyl-1,3-thiazinan-3-ium.
What is the SMILES notation for 3,3-dimethyl-1,3-thiazinan-3-ium?
The canonical SMILES for 3,3-dimethyl-1,3-thiazinan-3-ium is C[N+]1(C)CCCSC1.
What is the InChIKey of 3,3-dimethyl-1,3-thiazinan-3-ium?
The InChIKey is LYITXIVETYVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NS/c1-7(2)4-3-5-8-6-7/h3-6H2,1-2H3/q+1.
What are the key properties of 3,3-dimethyl-1,3-thiazinan-3-ium?
3,3-dimethyl-1,3-thiazinan-3-ium has a molecular weight of 132.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,3-thiazinan-3-ium is sourced from PubChem (CID 123238193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).