(6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine

C10H17NS — CID 130223762

IUPAC(6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine
SMILESCCC(C)C1=C[C@@H](C)SC(C)=N1
InChIInChI=1S/C10H17NS/c1-5-7(2)10-6-8(3)12-9(4)11-10/h6-8H,5H2,1-4H3/t7?,8-/m1/s1
InChIKeyDDHYKJZBCSFBQU-BRFYHDHCSA-N
MW183.32 g/mol
LogP3.47
Rot. Bonds2

About (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine

(6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine (PubChem CID 130223762) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine.

Molecular Properties

Compound Name(6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine
PubChem CID130223762
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine
SMILESCCC(C)C1=C[C@@H](C)SC(C)=N1
InChIInChI=1S/C10H17NS/c1-5-7(2)10-6-8(3)12-9(4)11-10/h6-8H,5H2,1-4H3/t7?,8-/m1/s1
InChIKeyDDHYKJZBCSFBQU-BRFYHDHCSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-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 (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine?
The IUPAC name of (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine (CID 130223762) is (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine.
What is the SMILES notation for (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine?
The canonical SMILES for (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine is CCC(C)C1=C[C@@H](C)SC(C)=N1.
What is the InChIKey of (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine?
The InChIKey is DDHYKJZBCSFBQU-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-7(2)10-6-8(3)12-9(4)11-10/h6-8H,5H2,1-4H3/t7?,8-/m1/s1.
What are the key properties of (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine?
(6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine has a molecular weight of 183.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine is sourced from PubChem (CID 130223762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).