2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone

C10H19N3O3S — CID 80519969

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(CC1CS(=O)(=O)CCN1)N1CCNCC1
InChIInChI=1S/C10H19N3O3S/c14-10(13-4-1-11-2-5-13)7-9-8-17(15,16)6-3-12-9/h9,11-12H,1-8H2
InChIKeyBRHKKQKKRPDSRE-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.81
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone (PubChem CID 80519969) 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-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
PubChem CID80519969
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(CC1CS(=O)(=O)CCN1)N1CCNCC1
InChIInChI=1S/C10H19N3O3S/c14-10(13-4-1-11-2-5-13)7-9-8-17(15,16)6-3-12-9/h9,11-12H,1-8H2
InChIKeyBRHKKQKKRPDSRE-UHFFFAOYSA-N
XLogP-1.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one
CID 80519900
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 80519951
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 107454712
1-(1,3-dihydroisoindol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520763
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216959
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102932565
(2S)-1-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 80520090
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874
1-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
CID 80520774
1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520954

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone (CID 80519969) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone is O=C(CC1CS(=O)(=O)CCN1)N1CCNCC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is BRHKKQKKRPDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c14-10(13-4-1-11-2-5-13)7-9-8-17(15,16)6-3-12-9/h9,11-12H,1-8H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 261.35 g/mol, XLogP of -1.81, 2 rotatable bonds, 2 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-piperazin-1-ylethanone is sourced from PubChem (CID 80519969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).