2,2-dimethyl-6-propan-2-yl-1,4-thiazine

C9H15NS — CID 123393749

IUPAC2,2-dimethyl-6-propan-2-yl-1,4-thiazine
SMILESCC(C)C1=CN=CC(C)(C)S1
InChIInChI=1S/C9H15NS/c1-7(2)8-5-10-6-9(3,4)11-8/h5-7H,1-4H3
InChIKeyZXXXQEMPMBXARF-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.08
Rot. Bonds1

About 2,2-dimethyl-6-propan-2-yl-1,4-thiazine

2,2-dimethyl-6-propan-2-yl-1,4-thiazine (PubChem CID 123393749) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2,2-dimethyl-6-propan-2-yl-1,4-thiazine.

Molecular Properties

Compound Name2,2-dimethyl-6-propan-2-yl-1,4-thiazine
PubChem CID123393749
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2,2-dimethyl-6-propan-2-yl-1,4-thiazine
SMILESCC(C)C1=CN=CC(C)(C)S1
InChIInChI=1S/C9H15NS/c1-7(2)8-5-10-6-9(3,4)11-8/h5-7H,1-4H3
InChIKeyZXXXQEMPMBXARF-UHFFFAOYSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-6-propan-2-yl-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

Related Compounds

6,6-dimethyl-1,4-thiazine-2-carboxylic acid
CID 145485753
2,2-dimethyl-5-propan-2-yl-3H-thiophene
CID 163530795
3-methyl-6-propan-2-ylazepine-3-thiol
CID 142619243
6,6-dimethyl-4-propan-2-ylthiadiazine
CID 143950658
6-ethyl-3-methyl-3-propan-2-ylazepine
CID 171542414
3,3,5,6-tetramethylazepine
CID 163775369
(Z)-2-(3-ethyl-4-propan-2-ylpyrrol-3-yl)ethenamine
CID 167207638
2-tert-butyl-6,6,7-trimethyl-1,4-diazepine
CID 142619246
4,4,5,5-tetramethyl-2-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyridine
CID 168880235
4,4-dimethyl-6,7,8,9-tetrahydro-2-benzazepine
CID 139443729
(NZ)-N-(2,2-dimethyl-4-propan-2-yl-1,3-thiazol-5-ylidene)hydroxylamine
CID 137156413
3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 160901645

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-propan-2-yl-1,4-thiazine?
The IUPAC name of 2,2-dimethyl-6-propan-2-yl-1,4-thiazine (CID 123393749) is 2,2-dimethyl-6-propan-2-yl-1,4-thiazine.
What is the SMILES notation for 2,2-dimethyl-6-propan-2-yl-1,4-thiazine?
The canonical SMILES for 2,2-dimethyl-6-propan-2-yl-1,4-thiazine is CC(C)C1=CN=CC(C)(C)S1.
What is the InChIKey of 2,2-dimethyl-6-propan-2-yl-1,4-thiazine?
The InChIKey is ZXXXQEMPMBXARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)8-5-10-6-9(3,4)11-8/h5-7H,1-4H3.
What are the key properties of 2,2-dimethyl-6-propan-2-yl-1,4-thiazine?
2,2-dimethyl-6-propan-2-yl-1,4-thiazine has a molecular weight of 169.29 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-propan-2-yl-1,4-thiazine is sourced from PubChem (CID 123393749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).