1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone

C11H20N2O3S — CID 43581857

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone
SMILESO=C(CC1CCCCN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20N2O3S/c14-11(9-10-3-1-2-4-12-10)13-5-7-17(15,16)8-6-13/h10,12H,1-9H2
InChIKeyFHRBZNVKRIKQLS-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.22
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone (PubChem CID 43581857) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone
PubChem CID43581857
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone
SMILESO=C(CC1CCCCN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20N2O3S/c14-11(9-10-3-1-2-4-12-10)13-5-7-17(15,16)8-6-13/h10,12H,1-9H2
InChIKeyFHRBZNVKRIKQLS-UHFFFAOYSA-N
XLogP-0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-(ethylamino)octan-1-one
CID 68097005
2-Amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-one
CID 68253150
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-(methylamino)heptan-1-one
CID 117835594
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-(ethylamino)heptan-1-one
CID 118033212
1-(1,4-Diazepan-1-yl)-2-(4-methylsulfonylpiperidin-2-yl)ethanone
CID 132080027
(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)heptan-1-one
CID 155028916
(2S)-2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-one
CID 156121631
1-(3,3-Dimethylpiperazin-1-yl)-3-(1,1-dioxothian-2-yl)propan-1-one
CID 161479319
6-(1-Oxo-1,4-thiazinan-2-yl)piperidin-2-one
CID 167009754
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
2-piperidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 43552541
(1,1-Dioxo-1,4-thiazinan-4-yl)-piperidin-2-ylmethanone
CID 43581723

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone (CID 43581857) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone is O=C(CC1CCCCN1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone?
The InChIKey is FHRBZNVKRIKQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(9-10-3-1-2-4-12-10)13-5-7-17(15,16)8-6-13/h10,12H,1-9H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone has a molecular weight of 260.36 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 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)-2-piperidin-2-ylethanone is sourced from PubChem (CID 43581857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).