5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide

C8H17NOS — CID 66229943

IUPAC5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCCC1CS(=O)CC(C)(C)N1
InChIInChI=1S/C8H17NOS/c1-4-7-5-11(10)6-8(2,3)9-7/h7,9H,4-6H2,1-3H3
InChIKeySYKGIODPRDJWGK-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.90
Rot. Bonds1

About 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide

5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 66229943) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide
PubChem CID66229943
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCCC1CS(=O)CC(C)(C)N1
InChIInChI=1S/C8H17NOS/c1-4-7-5-11(10)6-8(2,3)9-7/h7,9H,4-6H2,1-3H3
InChIKeySYKGIODPRDJWGK-UHFFFAOYSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
CID 66229940
(6R)-6-ethyl-2,2-dimethylpiperidin-4-ol
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2,3,5,5-tetramethyl-1,4-thiazinane 1-oxide
CID 66230400
3-ethyl-5-(4-propan-2-ylphenyl)-1,4-thiazinane 1-oxide
CID 66228672
5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 66231103
3-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
CID 66231469
3-(4-bromo-2-chlorophenyl)-5-ethyl-1,4-thiazinane 1-oxide
CID 82781098
3-(5-ethyl-1-oxo-1,4-thiazinan-3-yl)benzonitrile
CID 66228197
4-ethynyl-3,3-dimethylthiolane 1-oxide
CID 89445769
2,4-diethyl-2-methyl-1,3-oxazolidine
CID 55300109
5-ethyl-4-azaspiro[2.4]heptane
CID 145043726
N,3-dimethyl-1-oxothietan-3-amine
CID 162358806

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide (CID 66229943) is 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide is CCC1CS(=O)CC(C)(C)N1.
What is the InChIKey of 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is SYKGIODPRDJWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-7-5-11(10)6-8(2,3)9-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide?
5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66229943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).