3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride

C6H14ClNOS — CID 75481300

IUPAC3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC1(C)CS(=O)CCN1.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-6(2)5-9(8)4-3-7-6;/h7H,3-5H2,1-2H3;1H
InChIKeyFHDMHDCRFZREFZ-UHFFFAOYSA-N
MW183.70 g/mol
LogP0.54
Rot. Bonds

About 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride

3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 75481300) has the molecular formula C6H14ClNOS and a molecular weight of 183.70 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID75481300
Molecular FormulaC6H14ClNOS
Molecular Weight183.70 g/mol
Exact Mass183.05
IUPAC Name3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride
SMILESCC1(C)CS(=O)CCN1.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-6(2)5-9(8)4-3-7-6;/h7H,3-5H2,1-2H3;1H
InChIKeyFHDMHDCRFZREFZ-UHFFFAOYSA-N
XLogP0.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.70
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiomorpholine, 2-methyl-, 1-oxide
CID 20150280
3,3-Dimethylthiomorpholine
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1Lambda4-thiomorpholin-1-one hydrochloride
CID 20441479
3,3-Dimethyl-1lambda4-thiomorpholin-1-one
CID 22363313
3,3-Dimethylthiomorpholine 1,1-dioxide
CID 21751983
3,3-Dimethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75481116
3-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75525602
2,6-Dimethyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 75525913
2,3-Dimethyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 91647716
2-Ethyl-6-methyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 119030985
(3R)-3-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137935491
(3S)-3-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137957889

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride (CID 75481300) is 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride is CC1(C)CS(=O)CCN1.Cl.
What is the InChIKey of 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is FHDMHDCRFZREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.ClH/c1-6(2)5-9(8)4-3-7-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride?
3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 183.70 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 75481300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).