6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione

C14H18N2O4S — CID 64878789

IUPAC6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)C(=O)NCC(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H18N2O4S/c1-14(11-6-4-3-5-7-11)13(18)15-10-12(17)16(14)8-9-21(2,19)20/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyGACIWTLCQRAZSQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.10
Rot. Bonds4

About 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione

6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione (PubChem CID 64878789) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione
PubChem CID64878789
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)C(=O)NCC(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C14H18N2O4S/c1-14(11-6-4-3-5-7-11)13(18)15-10-12(17)16(14)8-9-21(2,19)20/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyGACIWTLCQRAZSQ-UHFFFAOYSA-N
XLogP-0.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione (CID 64878789) is 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione is CC1(c2ccccc2)C(=O)NCC(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione?
The InChIKey is GACIWTLCQRAZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-14(11-6-4-3-5-7-11)13(18)15-10-12(17)16(14)8-9-21(2,19)20/h3-7H,8-10H2,1-2H3,(H,15,18).
What are the key properties of 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione?
6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione has a molecular weight of 310.38 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64878789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).