(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide

C12H17NOS — CID 124678443

IUPAC(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide
SMILESC[C@@H]1C[S@@](=O)C[C@@H](Cc2ccccc2)N1
InChIInChI=1S/C12H17NOS/c1-10-8-15(14)9-12(13-10)7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-,15-/m1/s1
InChIKeyJKNNUKNXKBMBTA-IXPVHAAZSA-N
MW223.34 g/mol
LogP1.34
Rot. Bonds2

About (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide

(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide (PubChem CID 124678443) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide
PubChem CID124678443
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide
SMILESC[C@@H]1C[S@@](=O)C[C@@H](Cc2ccccc2)N1
InChIInChI=1S/C12H17NOS/c1-10-8-15(14)9-12(13-10)7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-,15-/m1/s1
InChIKeyJKNNUKNXKBMBTA-IXPVHAAZSA-N
XLogP1.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-dibenzyl-6-methylpiperidine-2-carboxamide
CID 130157164
N-benzyl-1-(6-methylpiperidin-2-yl)methanamine
CID 54855608
3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide
CID 66218177
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(2S)-2-benzylazetidine;molecular hydrogen
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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide (CID 124678443) is (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide is C[C@@H]1C[S@@](=O)C[C@@H](Cc2ccccc2)N1.
What is the InChIKey of (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide?
The InChIKey is JKNNUKNXKBMBTA-IXPVHAAZSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-8-15(14)9-12(13-10)7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/t10-,12-,15-/m1/s1.
What are the key properties of (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide?
(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide has a molecular weight of 223.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 124678443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).