6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione

C11H20N2O4S — CID 64879311

IUPAC6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1C(=O)NCC(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)9-10(15)12-7-8(14)13(9)5-6-18(4,16)17/h9H,5-7H2,1-4H3,(H,12,15)
InChIKeySVBVNYPXSHKFIA-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.60
Rot. Bonds3

About 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione

6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione (PubChem CID 64879311) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
PubChem CID64879311
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1C(=O)NCC(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)9-10(15)12-7-8(14)13(9)5-6-18(4,16)17/h9H,5-7H2,1-4H3,(H,12,15)
InChIKeySVBVNYPXSHKFIA-UHFFFAOYSA-N
XLogP-0.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 51359618
N-(3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl)acetamide
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2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide
CID 56790591
4-(2-(Methylsulfonyl)propanoyl)piperazin-2-one
CID 71895163
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
1,1-Dioxo-8-propan-2-yl-2,3,5,5a,7,8-hexahydropyrazino[1,2-b][1,5,2]dithiazepine-6,9-dione
CID 75632454
6-Tert-butyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627624
6-Tert-butyl-3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627655
3-Tert-butyl-6-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627661
3-Tert-butyl-6-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627662
6-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627700
3-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627717

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione (CID 64879311) is 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione is CC(C)(C)C1C(=O)NCC(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
The InChIKey is SVBVNYPXSHKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2,3)9-10(15)12-7-8(14)13(9)5-6-18(4,16)17/h9H,5-7H2,1-4H3,(H,12,15).
What are the key properties of 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione?
6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione has a molecular weight of 276.36 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64879311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).