1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one

C10H19NO4S — CID 116595429

IUPAC1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H19NO4S/c1-8(2)15-6-10(12)5-9-7-16(13,14)4-3-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyFVDBAUCPOVQFMD-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.24
Rot. Bonds5

About 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one

1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one (PubChem CID 116595429) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one
PubChem CID116595429
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H19NO4S/c1-8(2)15-6-10(12)5-9-7-16(13,14)4-3-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyFVDBAUCPOVQFMD-UHFFFAOYSA-N
XLogP-0.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one (CID 116595429) is 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one is CC(C)OCC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one?
The InChIKey is FVDBAUCPOVQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(2)15-6-10(12)5-9-7-16(13,14)4-3-11-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one?
1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one has a molecular weight of 249.33 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-propan-2-yloxypropan-2-one is sourced from PubChem (CID 116595429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).