N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide

C11H16N4O4S — CID 35787554

IUPACN,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)C2)n(C)c1
InChIInChI=1S/C11H16N4O4S/c1-12-20(18,19)8-5-9(14(2)6-8)11(17)15-4-3-13-10(16)7-15/h5-6,12H,3-4,7H2,1-2H3,(H,13,16)
InChIKeyNJCQAFFARFUBLK-UHFFFAOYSA-N
MW300.34 g/mol
LogP-1.49
Rot. Bonds3

About N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide

N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 35787554) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID35787554
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC NameN,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)C2)n(C)c1
InChIInChI=1S/C11H16N4O4S/c1-12-20(18,19)8-5-9(14(2)6-8)11(17)15-4-3-13-10(16)7-15/h5-6,12H,3-4,7H2,1-2H3,(H,13,16)
InChIKeyNJCQAFFARFUBLK-UHFFFAOYSA-N
XLogP-1.49
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide (CID 35787554) is N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)C2)n(C)c1.
What is the InChIKey of N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is NJCQAFFARFUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-12-20(18,19)8-5-9(14(2)6-8)11(17)15-4-3-13-10(16)7-15/h5-6,12H,3-4,7H2,1-2H3,(H,13,16).
What are the key properties of N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide?
N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 35787554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).