1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone

C13H24N2O4S — CID 91336310

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1.CC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO.C6H11NO3S/c1-7(9)8-5-3-2-4-6-8;1-6(8)7-2-4-11(9,10)5-3-7/h2-6H2,1H3;2-5H2,1H3
InChIKeyZSKPJHGZSCYWHS-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.28
Rot. Bonds

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone (PubChem CID 91336310) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone
PubChem CID91336310
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone
SMILESCC(=O)N1CCCCC1.CC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO.C6H11NO3S/c1-7(9)8-5-3-2-4-6-8;1-6(8)7-2-4-11(9,10)5-3-7/h2-6H2,1H3;2-5H2,1H3
InChIKeyZSKPJHGZSCYWHS-UHFFFAOYSA-N
XLogP0.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone (CID 91336310) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone is CC(=O)N1CCCCC1.CC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone?
The InChIKey is ZSKPJHGZSCYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H11NO3S/c1-7(9)8-5-3-2-4-6-8;1-6(8)7-2-4-11(9,10)5-3-7/h2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone has a molecular weight of 304.41 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone is sourced from PubChem (CID 91336310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).