(1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide

C12H17NOS — CID 12849856

IUPAC(1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide
SMILESCN1CC[S@@](=O)[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C12H17NOS/c1-12(11-6-4-3-5-7-11)10-13(2)8-9-15(12)14/h3-7H,8-10H2,1-2H3/t12-,15-/m1/s1
InChIKeyWGCLJCLQFBAOJR-IUODEOHRSA-N
MW223.34 g/mol
LogP1.60
Rot. Bonds1

About (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide

(1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide (PubChem CID 12849856) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide
PubChem CID12849856
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide
SMILESCN1CC[S@@](=O)[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C12H17NOS/c1-12(11-6-4-3-5-7-11)10-13(2)8-9-15(12)14/h3-7H,8-10H2,1-2H3/t12-,15-/m1/s1
InChIKeyWGCLJCLQFBAOJR-IUODEOHRSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
The IUPAC name of (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide (CID 12849856) is (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide is CN1CC[S@@](=O)[C@@](C)(c2ccccc2)C1.
What is the InChIKey of (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
The InChIKey is WGCLJCLQFBAOJR-IUODEOHRSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(11-6-4-3-5-7-11)10-13(2)8-9-15(12)14/h3-7H,8-10H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
(1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide has a molecular weight of 223.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2,4-dimethyl-2-phenyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 12849856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).