3-propan-2-yl-6H-thiazine

C7H11NS — CID 20700904

IUPAC3-propan-2-yl-6H-thiazine
SMILESCC(C)C1=NSCC=C1
InChIInChI=1S/C7H11NS/c1-6(2)7-4-3-5-9-8-7/h3-4,6H,5H2,1-2H3
InChIKeyGIJVELPNRMGNFE-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.30
Rot. Bonds1

About 3-propan-2-yl-6H-thiazine

3-propan-2-yl-6H-thiazine (PubChem CID 20700904) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 3-propan-2-yl-6H-thiazine.

Molecular Properties

Compound Name3-propan-2-yl-6H-thiazine
PubChem CID20700904
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name3-propan-2-yl-6H-thiazine
SMILESCC(C)C1=NSCC=C1
InChIInChI=1S/C7H11NS/c1-6(2)7-4-3-5-9-8-7/h3-4,6H,5H2,1-2H3
InChIKeyGIJVELPNRMGNFE-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propan-2-yl-6H-thiazine 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 3-propan-2-yl-6H-thiazine?
The IUPAC name of 3-propan-2-yl-6H-thiazine (CID 20700904) is 3-propan-2-yl-6H-thiazine.
What is the SMILES notation for 3-propan-2-yl-6H-thiazine?
The canonical SMILES for 3-propan-2-yl-6H-thiazine is CC(C)C1=NSCC=C1.
What is the InChIKey of 3-propan-2-yl-6H-thiazine?
The InChIKey is GIJVELPNRMGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6(2)7-4-3-5-9-8-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-propan-2-yl-6H-thiazine?
3-propan-2-yl-6H-thiazine has a molecular weight of 141.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6H-thiazine is sourced from PubChem (CID 20700904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).