N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide

C11H20N4O4S — CID 78981891

IUPACN,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C11H20N4O4S/c1-13(2)20(18,19)15-5-3-14(4-6-15)11(17)9-7-10(16)12-8-9/h9H,3-8H2,1-2H3,(H,12,16)
InChIKeyBAXDCMMDUBUBTE-UHFFFAOYSA-N
MW304.37 g/mol
LogP-1.93
Rot. Bonds3

About N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 78981891) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide
PubChem CID78981891
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C11H20N4O4S/c1-13(2)20(18,19)15-5-3-14(4-6-15)11(17)9-7-10(16)12-8-9/h9H,3-8H2,1-2H3,(H,12,16)
InChIKeyBAXDCMMDUBUBTE-UHFFFAOYSA-N
XLogP-1.93
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-1.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide (CID 78981891) is N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is BAXDCMMDUBUBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-13(2)20(18,19)15-5-3-14(4-6-15)11(17)9-7-10(16)12-8-9/h9H,3-8H2,1-2H3,(H,12,16).
What are the key properties of N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of -1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 78981891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).