4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide

C13H22N4O3S — CID 65461558

IUPAC4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCNCC2(C)C)cn1C
InChIInChI=1S/C13H22N4O3S/c1-13(2)9-15-5-6-17(13)21(19,20)10-7-11(12(18)14-3)16(4)8-10/h7-8,15H,5-6,9H2,1-4H3,(H,14,18)
InChIKeyLNYGLALPPOFXJH-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.24
Rot. Bonds3

About 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide

4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 65461558) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID65461558
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCNCC2(C)C)cn1C
InChIInChI=1S/C13H22N4O3S/c1-13(2)9-15-5-6-17(13)21(19,20)10-7-11(12(18)14-3)16(4)8-10/h7-8,15H,5-6,9H2,1-4H3,(H,14,18)
InChIKeyLNYGLALPPOFXJH-UHFFFAOYSA-N
XLogP-0.24
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 65461558) is 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCNCC2(C)C)cn1C.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is LNYGLALPPOFXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-13(2)9-15-5-6-17(13)21(19,20)10-7-11(12(18)14-3)16(4)8-10/h7-8,15H,5-6,9H2,1-4H3,(H,14,18).
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 65461558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).