1-(1,3-thiazinan-3-yl)ethanone

C6H11NOS — CID 14296340

IUPAC1-(1,3-thiazinan-3-yl)ethanone
SMILESCC(=O)N1CCCSC1
InChIInChI=1S/C6H11NOS/c1-6(8)7-3-2-4-9-5-7/h2-5H2,1H3
InChIKeyCMYIVEGIWYRBNF-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.93
Rot. Bonds

About 1-(1,3-thiazinan-3-yl)ethanone

1-(1,3-thiazinan-3-yl)ethanone (PubChem CID 14296340) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-(1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-thiazinan-3-yl)ethanone
PubChem CID14296340
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name1-(1,3-thiazinan-3-yl)ethanone
SMILESCC(=O)N1CCCSC1
InChIInChI=1S/C6H11NOS/c1-6(8)7-3-2-4-9-5-7/h2-5H2,1H3
InChIKeyCMYIVEGIWYRBNF-UHFFFAOYSA-N
XLogP0.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylsulfanyl)-1-(thiomorpholin-4-yl)ethan-1-one
CID 131179282
N-acetylthiomorpholine
CID 12517840
4-Methylthiomorpholin-3-one
CID 13606349
3-Ethyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 276407
1-(1-Methyl-1,3-thiazinan-1-ium-3-yl)ethanone tetrafluoroborate
CID 14296344
1-(2-Sulfanylidene-1,3-thiazinan-3-yl)propan-1-one
CID 162418759
2-Fluoro-1-thiomorpholin-4-ylpropan-1-one
CID 144864876
3-Methyl-1,3-thiazinan-4-one
CID 12445250
3-Methyl-1,3-thiazinane-2,4-dione
CID 13001197
3-Ethyl-1,3-thiazinan-2-one
CID 13352374
3-Methyl-1,3-thiazinan-2-one
CID 13352385
3-Propan-2-yl-1,3-thiazinan-2-one
CID 13352386

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazinan-3-yl)ethanone?
The IUPAC name of 1-(1,3-thiazinan-3-yl)ethanone (CID 14296340) is 1-(1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for 1-(1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for 1-(1,3-thiazinan-3-yl)ethanone is CC(=O)N1CCCSC1.
What is the InChIKey of 1-(1,3-thiazinan-3-yl)ethanone?
The InChIKey is CMYIVEGIWYRBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-6(8)7-3-2-4-9-5-7/h2-5H2,1H3.
What are the key properties of 1-(1,3-thiazinan-3-yl)ethanone?
1-(1,3-thiazinan-3-yl)ethanone has a molecular weight of 145.23 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 14296340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).