3,5-dimethylthiazinane

C6H13NS — CID 153380610

IUPAC3,5-dimethylthiazinane
SMILESCC1CSNC(C)C1
InChIInChI=1S/C6H13NS/c1-5-3-6(2)7-8-4-5/h5-7H,3-4H2,1-2H3
InChIKeyUPSXLPZIRMEIGV-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.65
Rot. Bonds

About 3,5-dimethylthiazinane

3,5-dimethylthiazinane (PubChem CID 153380610) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3,5-dimethylthiazinane.

Molecular Properties

Compound Name3,5-dimethylthiazinane
PubChem CID153380610
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3,5-dimethylthiazinane
SMILESCC1CSNC(C)C1
InChIInChI=1S/C6H13NS/c1-5-3-6(2)7-8-4-5/h5-7H,3-4H2,1-2H3
InChIKeyUPSXLPZIRMEIGV-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dimethylthiazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylthiazepane
CID 174957402
(4R)-2,4-dimethylpiperidine
CID 144551274
(3R,5R)-3,5-dimethylthiomorpholine
CID 13077511
(3S,5R)-3-bromo-5-methylthiane
CID 124500568
(2S,4S)-2,4-dimethylazetidine;hydrochloride
CID 135392273
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
(2S,4S)-2,4-dimethyl-1,3-thiazolidine
CID 55287644
(2S,6S)-2,6-dimethylpiperidin-4-ol;hydrochloride
CID 164888528
(2S,6R)-2,6-dimethylpiperidin-4-ol;hydrochloride
CID 164888527
thiane-3,5-diamine
CID 156770129
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylthiazinane?
The IUPAC name of 3,5-dimethylthiazinane (CID 153380610) is 3,5-dimethylthiazinane.
What is the SMILES notation for 3,5-dimethylthiazinane?
The canonical SMILES for 3,5-dimethylthiazinane is CC1CSNC(C)C1.
What is the InChIKey of 3,5-dimethylthiazinane?
The InChIKey is UPSXLPZIRMEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-3-6(2)7-8-4-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethylthiazinane?
3,5-dimethylthiazinane has a molecular weight of 131.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylthiazinane is sourced from PubChem (CID 153380610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).