(2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide

C14H21NOS — CID 12849854

IUPAC(2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide
SMILESCC[C@]1(c2ccccc2)CN(C)CC(C)S1=O
InChIInChI=1S/C14H21NOS/c1-4-14(13-8-6-5-7-9-13)11-15(3)10-12(2)17(14)16/h5-9,12H,4,10-11H2,1-3H3/t12?,14-,17?/m1/s1
InChIKeyJFTJNLPHMDLJIS-KDJCLPLCSA-N
MW251.40 g/mol
LogP2.37
Rot. Bonds2

About (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide

(2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide (PubChem CID 12849854) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide
PubChem CID12849854
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide
SMILESCC[C@]1(c2ccccc2)CN(C)CC(C)S1=O
InChIInChI=1S/C14H21NOS/c1-4-14(13-8-6-5-7-9-13)11-15(3)10-12(2)17(14)16/h5-9,12H,4,10-11H2,1-3H3/t12?,14-,17?/m1/s1
InChIKeyJFTJNLPHMDLJIS-KDJCLPLCSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
The IUPAC name of (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide (CID 12849854) is (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide is CC[C@]1(c2ccccc2)CN(C)CC(C)S1=O.
What is the InChIKey of (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
The InChIKey is JFTJNLPHMDLJIS-KDJCLPLCSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-14(13-8-6-5-7-9-13)11-15(3)10-12(2)17(14)16/h5-9,12H,4,10-11H2,1-3H3/t12?,14-,17?/m1/s1.
What are the key properties of (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide?
(2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide has a molecular weight of 251.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-ethyl-4,6-dimethyl-2-phenyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 12849854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).