3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide

C10H20N4O4S — CID 59703716

IUPAC3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)NC)CCN1S(C)(=O)=O
InChIInChI=1S/C10H20N4O4S/c1-4-12-9(15)8-7-13(10(16)11-2)5-6-14(8)19(3,17)18/h8H,4-7H2,1-3H3,(H,11,16)(H,12,15)
InChIKeyPRRSHERYFNTMIQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP-1.59
Rot. Bonds3

About 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide

3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide (PubChem CID 59703716) has the molecular formula C10H20N4O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide
PubChem CID59703716
Molecular FormulaC10H20N4O4S
Molecular Weight292.36 g/mol
Exact Mass292.12
IUPAC Name3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)NC)CCN1S(C)(=O)=O
InChIInChI=1S/C10H20N4O4S/c1-4-12-9(15)8-7-13(10(16)11-2)5-6-14(8)19(3,17)18/h8H,4-7H2,1-3H3,(H,11,16)(H,12,15)
InChIKeyPRRSHERYFNTMIQ-UHFFFAOYSA-N
XLogP-1.59
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide (CID 59703716) is 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide is CCNC(=O)C1CN(C(=O)NC)CCN1S(C)(=O)=O.
What is the InChIKey of 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
The InChIKey is PRRSHERYFNTMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S/c1-4-12-9(15)8-7-13(10(16)11-2)5-6-14(8)19(3,17)18/h8H,4-7H2,1-3H3,(H,11,16)(H,12,15).
What are the key properties of 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide has a molecular weight of 292.36 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-methyl-4-methylsulfonylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 59703716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).