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

C10H19N3O3S — CID 43581521

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)N1CCNCC1
InChIInChI=1S/C10H19N3O3S/c14-10(13-3-1-11-2-4-13)9-12-5-7-17(15,16)8-6-12/h11H,1-9H2
InChIKeyCLHLZAKTPQBCLP-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.85
Rot. Bonds2

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone (PubChem CID 43581521) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone
PubChem CID43581521
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone
SMILESO=C(CN1CCS(=O)(=O)CC1)N1CCNCC1
InChIInChI=1S/C10H19N3O3S/c14-10(13-3-1-11-2-4-13)9-12-5-7-17(15,16)8-6-12/h11H,1-9H2
InChIKeyCLHLZAKTPQBCLP-UHFFFAOYSA-N
XLogP-1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone (CID 43581521) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone is O=C(CN1CCS(=O)(=O)CC1)N1CCNCC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone?
The InChIKey is CLHLZAKTPQBCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c14-10(13-3-1-11-2-4-13)9-12-5-7-17(15,16)8-6-12/h11H,1-9H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone has a molecular weight of 261.35 g/mol, XLogP of -1.85, 2 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-4-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 43581521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).