1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide

C11H22N4O4S — CID 59703764

IUPAC1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)NCC)CCN1S(C)(=O)=O
InChIInChI=1S/C11H22N4O4S/c1-4-12-10(16)9-8-14(11(17)13-5-2)6-7-15(9)20(3,18)19/h9H,4-8H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyNWOFQGBEQLABDX-UHFFFAOYSA-N
MW306.39 g/mol
LogP-1.20
Rot. Bonds4

About 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide

1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide (PubChem CID 59703764) has the molecular formula C11H22N4O4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide
PubChem CID59703764
Molecular FormulaC11H22N4O4S
Molecular Weight306.39 g/mol
Exact Mass306.14
IUPAC Name1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)NCC)CCN1S(C)(=O)=O
InChIInChI=1S/C11H22N4O4S/c1-4-12-10(16)9-8-14(11(17)13-5-2)6-7-15(9)20(3,18)19/h9H,4-8H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyNWOFQGBEQLABDX-UHFFFAOYSA-N
XLogP-1.20
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide (CID 59703764) is 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide is CCNC(=O)C1CN(C(=O)NCC)CCN1S(C)(=O)=O.
What is the InChIKey of 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
The InChIKey is NWOFQGBEQLABDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4S/c1-4-12-10(16)9-8-14(11(17)13-5-2)6-7-15(9)20(3,18)19/h9H,4-8H2,1-3H3,(H,12,16)(H,13,17).
What are the key properties of 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide?
1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide has a molecular weight of 306.39 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 59703764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).