4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one

C10H17N3O4S — CID 80519900

IUPAC4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2CS(=O)(=O)CCN2)CCN1
InChIInChI=1S/C10H17N3O4S/c14-9-6-13(3-1-12-9)10(15)5-8-7-18(16,17)4-2-11-8/h8,11H,1-7H2,(H,12,14)
InChIKeyZWJWGEGWXPWKEP-UHFFFAOYSA-N
MW275.33 g/mol
LogP-2.28
Rot. Bonds2

About 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one

4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one (PubChem CID 80519900) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one
PubChem CID80519900
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2CS(=O)(=O)CCN2)CCN1
InChIInChI=1S/C10H17N3O4S/c14-9-6-13(3-1-12-9)10(15)5-8-7-18(16,17)4-2-11-8/h8,11H,1-7H2,(H,12,14)
InChIKeyZWJWGEGWXPWKEP-UHFFFAOYSA-N
XLogP-2.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
CID 80519969
4-[2-(1,1-dioxothiolan-3-yl)acetyl]piperazin-2-one
CID 55023787
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
4-(2-pyrrolidin-2-ylacetyl)piperazin-2-one;hydrochloride
CID 119681672
1-(1,3-dihydroisoindol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520763
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
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
4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-1,3,3-trimethylpiperazin-2-one
CID 80520802
(2S)-1-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 80520090
1-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
CID 80520774

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one (CID 80519900) is 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)CC2CS(=O)(=O)CCN2)CCN1.
What is the InChIKey of 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one?
The InChIKey is ZWJWGEGWXPWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c14-9-6-13(3-1-12-9)10(15)5-8-7-18(16,17)4-2-11-8/h8,11H,1-7H2,(H,12,14).
What are the key properties of 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one?
4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one has a molecular weight of 275.33 g/mol, XLogP of -2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 80519900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).