3-methyl-1,4-thiazinane 1-oxide

C5H11NOS — CID 12600303

IUPAC3-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CCN1
InChIInChI=1S/C5H11NOS/c1-5-4-8(7)3-2-6-5/h5-6H,2-4H2,1H3
InChIKeyMPRSVGXQKWSDMM-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.27
Rot. Bonds

About 3-methyl-1,4-thiazinane 1-oxide

3-methyl-1,4-thiazinane 1-oxide (PubChem CID 12600303) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 3-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-methyl-1,4-thiazinane 1-oxide
PubChem CID12600303
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name3-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CCN1
InChIInChI=1S/C5H11NOS/c1-5-4-8(7)3-2-6-5/h5-6H,2-4H2,1H3
InChIKeyMPRSVGXQKWSDMM-UHFFFAOYSA-N
XLogP-0.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylthiomorpholine
CID 12600300
Thiomorpholine 1-oxide
CID 12600299
Thiomorpholine, 2-methyl-, 1-oxide
CID 20150280
1Lambda4-thiomorpholin-1-one hydrochloride
CID 20441479
3,3-Dimethyl-1lambda4-thiomorpholin-1-one
CID 22363313
(3R)-3-methylthiomorpholine
CID 28419121
(3S)-3-methylthiomorpholine
CID 28419123
3,3-Dimethylthiomorpholine 1,1-dioxide
CID 21751983
4-(Methylamino)-1lambda4-thian-1-one hydrochloride
CID 54595219
3,3-Dimethyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 75481300
3-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75525602
2,6-Dimethyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 75525913

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-methyl-1,4-thiazinane 1-oxide (CID 12600303) is 3-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-methyl-1,4-thiazinane 1-oxide is CC1CS(=O)CCN1.
What is the InChIKey of 3-methyl-1,4-thiazinane 1-oxide?
The InChIKey is MPRSVGXQKWSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5-4-8(7)3-2-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-methyl-1,4-thiazinane 1-oxide?
3-methyl-1,4-thiazinane 1-oxide has a molecular weight of 133.22 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 12600303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).