2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone

C11H19NO4S — CID 107138448

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone
SMILESO=C(CC1CS(=O)(=O)CCN1)C1CCCOC1
InChIInChI=1S/C11H19NO4S/c13-11(9-2-1-4-16-7-9)6-10-8-17(14,15)5-3-12-10/h9-10,12H,1-8H2
InChIKeyLXFAIQGJAJSNNC-UHFFFAOYSA-N
MW261.34 g/mol
LogP-0.24
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone (PubChem CID 107138448) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone
PubChem CID107138448
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone
SMILESO=C(CC1CS(=O)(=O)CCN1)C1CCCOC1
InChIInChI=1S/C11H19NO4S/c13-11(9-2-1-4-16-7-9)6-10-8-17(14,15)5-3-12-10/h9-10,12H,1-8H2
InChIKeyLXFAIQGJAJSNNC-UHFFFAOYSA-N
XLogP-0.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
CID 80520256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
CID 107138340
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
CID 80521218
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 80520145
1-cyclopentyl-2-(oxan-3-yl)ethanone
CID 107135385
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 80520213
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone (CID 107138448) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone is O=C(CC1CS(=O)(=O)CCN1)C1CCCOC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone?
The InChIKey is LXFAIQGJAJSNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(9-2-1-4-16-7-9)6-10-8-17(14,15)5-3-12-10/h9-10,12H,1-8H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone has a molecular weight of 261.34 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 107138448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).