1-(2-propylsulfonylethyl)piperazine-2,6-dione

C9H16N2O4S — CID 106729420

IUPAC1-(2-propylsulfonylethyl)piperazine-2,6-dione
SMILESCCCS(=O)(=O)CCN1C(=O)CNCC1=O
InChIInChI=1S/C9H16N2O4S/c1-2-4-16(14,15)5-3-11-8(12)6-10-7-9(11)13/h10H,2-7H2,1H3
InChIKeyPCXUQGJFFLUYRS-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.23
Rot. Bonds5

About 1-(2-propylsulfonylethyl)piperazine-2,6-dione

1-(2-propylsulfonylethyl)piperazine-2,6-dione (PubChem CID 106729420) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(2-propylsulfonylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(2-propylsulfonylethyl)piperazine-2,6-dione
PubChem CID106729420
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name1-(2-propylsulfonylethyl)piperazine-2,6-dione
SMILESCCCS(=O)(=O)CCN1C(=O)CNCC1=O
InChIInChI=1S/C9H16N2O4S/c1-2-4-16(14,15)5-3-11-8(12)6-10-7-9(11)13/h10H,2-7H2,1H3
InChIKeyPCXUQGJFFLUYRS-UHFFFAOYSA-N
XLogP-1.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-propylsulfonylpropane
CID 11709
6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733647
2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106729433
6-iodo-4-(2-propylsulfonylethyl)-1,4-benzoxazin-3-one
CID 106735142
1-(2-propylsulfonylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815443
1-(3-hydroxypropyl)piperazine-2,6-dione
CID 66062838
1-(3-chloropropyl)piperazine-2,6-dione
CID 21245750
1-(2-ethylbutyl)piperazine-2,6-dione
CID 82929590
1-(2-propylsulfonylethyl)pyrimidin-2-one
CID 106731609
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
CID 106731159
1-[2-(2-hydroxyethoxy)ethyl]piperazine-2,6-dione
CID 66063429

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethyl)piperazine-2,6-dione?
The IUPAC name of 1-(2-propylsulfonylethyl)piperazine-2,6-dione (CID 106729420) is 1-(2-propylsulfonylethyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(2-propylsulfonylethyl)piperazine-2,6-dione?
The canonical SMILES for 1-(2-propylsulfonylethyl)piperazine-2,6-dione is CCCS(=O)(=O)CCN1C(=O)CNCC1=O.
What is the InChIKey of 1-(2-propylsulfonylethyl)piperazine-2,6-dione?
The InChIKey is PCXUQGJFFLUYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-2-4-16(14,15)5-3-11-8(12)6-10-7-9(11)13/h10H,2-7H2,1H3.
What are the key properties of 1-(2-propylsulfonylethyl)piperazine-2,6-dione?
1-(2-propylsulfonylethyl)piperazine-2,6-dione has a molecular weight of 248.30 g/mol, XLogP of -1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfonylethyl)piperazine-2,6-dione is sourced from PubChem (CID 106729420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).