(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide

C6H13NOS — CID 95240880

IUPAC(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide
SMILESC[C@@H]1[C@@H](C)NCC[S@@]1=O
InChIInChI=1S/C6H13NOS/c1-5-6(2)9(8)4-3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-,9+/m1/s1
InChIKeyJYHRQKWTPCFPJR-KCRUCZTKSA-N
MW147.24 g/mol
LogP0.12
Rot. Bonds

About (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide

(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 95240880) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide
PubChem CID95240880
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide
SMILESC[C@@H]1[C@@H](C)NCC[S@@]1=O
InChIInChI=1S/C6H13NOS/c1-5-6(2)9(8)4-3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-,9+/m1/s1
InChIKeyJYHRQKWTPCFPJR-KCRUCZTKSA-N
XLogP0.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide
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(2S,3S)-2,3-dimethylthiane 1-oxide
CID 134881522
2-methyl-3-phenyl-1,4-thiazepane 1-oxide
CID 66217785
3-iodo-2-methylpyrrolidine
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trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
2-tert-butyl-3-methylpiperazine
CID 116829179
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 79388557
2,3-dimethylpyrrolidine;ethane
CID 90972313
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide (CID 95240880) is (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide is C[C@@H]1[C@@H](C)NCC[S@@]1=O.
What is the InChIKey of (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is JYHRQKWTPCFPJR-KCRUCZTKSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5-6(2)9(8)4-3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-,9+/m1/s1.
What are the key properties of (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide?
(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 147.24 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 95240880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).