3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione

C11H19N3O4S — CID 66076194

IUPAC3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C11H19N3O4S/c1-11(2)10(16)13-9(15)7-14(11)19(17,18)8-3-5-12-6-4-8/h8,12H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyMSPBKEMQSDINLH-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.19
Rot. Bonds2

About 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione

3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione (PubChem CID 66076194) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione
PubChem CID66076194
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C11H19N3O4S/c1-11(2)10(16)13-9(15)7-14(11)19(17,18)8-3-5-12-6-4-8/h8,12H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyMSPBKEMQSDINLH-UHFFFAOYSA-N
XLogP-1.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione (CID 66076194) is 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1S(=O)(=O)C1CCNCC1.
What is the InChIKey of 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione?
The InChIKey is MSPBKEMQSDINLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-11(2)10(16)13-9(15)7-14(11)19(17,18)8-3-5-12-6-4-8/h8,12H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione?
3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione has a molecular weight of 289.36 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-piperidin-4-ylsulfonylpiperazine-2,6-dione is sourced from PubChem (CID 66076194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).