4,4-dimethyl-6-propan-2-yl-1,3-thiazine

C9H15NS — CID 147226328

IUPAC4,4-dimethyl-6-propan-2-yl-1,3-thiazine
SMILESCC(C)C1=CC(C)(C)N=CS1
InChIInChI=1S/C9H15NS/c1-7(2)8-5-9(3,4)10-6-11-8/h5-7H,1-4H3
InChIKeyCIAXXXXPBIFWHP-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.08
Rot. Bonds1

About 4,4-dimethyl-6-propan-2-yl-1,3-thiazine

4,4-dimethyl-6-propan-2-yl-1,3-thiazine (PubChem CID 147226328) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4,4-dimethyl-6-propan-2-yl-1,3-thiazine.

Molecular Properties

Compound Name4,4-dimethyl-6-propan-2-yl-1,3-thiazine
PubChem CID147226328
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4,4-dimethyl-6-propan-2-yl-1,3-thiazine
SMILESCC(C)C1=CC(C)(C)N=CS1
InChIInChI=1S/C9H15NS/c1-7(2)8-5-9(3,4)10-6-11-8/h5-7H,1-4H3
InChIKeyCIAXXXXPBIFWHP-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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-propan-2-yl-1,3-thiazine?
The IUPAC name of 4,4-dimethyl-6-propan-2-yl-1,3-thiazine (CID 147226328) is 4,4-dimethyl-6-propan-2-yl-1,3-thiazine.
What is the SMILES notation for 4,4-dimethyl-6-propan-2-yl-1,3-thiazine?
The canonical SMILES for 4,4-dimethyl-6-propan-2-yl-1,3-thiazine is CC(C)C1=CC(C)(C)N=CS1.
What is the InChIKey of 4,4-dimethyl-6-propan-2-yl-1,3-thiazine?
The InChIKey is CIAXXXXPBIFWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)8-5-9(3,4)10-6-11-8/h5-7H,1-4H3.
What are the key properties of 4,4-dimethyl-6-propan-2-yl-1,3-thiazine?
4,4-dimethyl-6-propan-2-yl-1,3-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 4,4-dimethyl-6-propan-2-yl-1,3-thiazine is sourced from PubChem (CID 147226328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).