4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide

C10H18N4O4S — CID 78954698

IUPAC4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C10H18N4O4S/c11-19(17,18)14-5-3-13(4-6-14)10(16)8-1-2-9(15)12-7-8/h8H,1-7H2,(H,12,15)(H2,11,17,18)
InChIKeyIWQOUFBARBMWFN-UHFFFAOYSA-N
MW290.35 g/mol
LogP-2.14
Rot. Bonds2

About 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide

4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 78954698) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
PubChem CID78954698
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C10H18N4O4S/c11-19(17,18)14-5-3-13(4-6-14)10(16)8-1-2-9(15)12-7-8/h8H,1-7H2,(H,12,15)(H2,11,17,18)
InChIKeyIWQOUFBARBMWFN-UHFFFAOYSA-N
XLogP-2.14
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide (CID 78954698) is 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)C2CCC(=O)NC2)CC1.
What is the InChIKey of 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is IWQOUFBARBMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c11-19(17,18)14-5-3-13(4-6-14)10(16)8-1-2-9(15)12-7-8/h8H,1-7H2,(H,12,15)(H2,11,17,18).
What are the key properties of 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide?
4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of -2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 78954698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).