2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide

C8H17NOS — CID 66230400

IUPAC2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide
SMILESCC1NC(C)(C)CS(=O)C1C
InChIInChI=1S/C8H17NOS/c1-6-7(2)11(10)5-8(3,4)9-6/h6-7,9H,5H2,1-4H3
InChIKeyADJDVHOBTQZCGG-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.89
Rot. Bonds

About 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide

2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide (PubChem CID 66230400) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide
PubChem CID66230400
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide
SMILESCC1NC(C)(C)CS(=O)C1C
InChIInChI=1S/C8H17NOS/c1-6-7(2)11(10)5-8(3,4)9-6/h6-7,9H,5H2,1-4H3
InChIKeyADJDVHOBTQZCGG-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
CID 66231336
(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide
CID 95240880
7-tert-butyl-3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1-oxide
CID 66227831
5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide
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2,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
CID 66227835
3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
CID 66229940
2,2,4-trimethyl-1,3-dithiane 1-oxide
CID 544437
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ethanol;2,2,5,6-tetramethylpiperidin-4-ol
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Frequently Asked Questions

What is the IUPAC name of 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide (CID 66230400) is 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide is CC1NC(C)(C)CS(=O)C1C.
What is the InChIKey of 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide?
The InChIKey is ADJDVHOBTQZCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6-7(2)11(10)5-8(3,4)9-6/h6-7,9H,5H2,1-4H3.
What are the key properties of 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide?
2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66230400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).