6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine

C10H19NS — CID 91536935

IUPAC6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine
SMILESCCCCC1(C)C=NCC(C)S1
InChIInChI=1S/C10H19NS/c1-4-5-6-10(3)8-11-7-9(2)12-10/h8-9H,4-7H2,1-3H3
InChIKeyXCEWZMVMRIENLI-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.14
Rot. Bonds3

About 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine

6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine (PubChem CID 91536935) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine
PubChem CID91536935
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine
SMILESCCCCC1(C)C=NCC(C)S1
InChIInChI=1S/C10H19NS/c1-4-5-6-10(3)8-11-7-9(2)12-10/h8-9H,4-7H2,1-3H3
InChIKeyXCEWZMVMRIENLI-UHFFFAOYSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-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 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine?
The IUPAC name of 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine (CID 91536935) is 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine is CCCCC1(C)C=NCC(C)S1.
What is the InChIKey of 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine?
The InChIKey is XCEWZMVMRIENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-5-6-10(3)8-11-7-9(2)12-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine?
6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine has a molecular weight of 185.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,6-dimethyl-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 91536935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).