2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C9H21N5O3S — CID 55202949

IUPAC2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H21N5O3S/c1-8(9(10)11-15)13-4-6-14(7-5-13)18(16,17)12(2)3/h8,15H,4-7H2,1-3H3,(H2,10,11)
InChIKeyBSQWXWREJZVMSK-UHFFFAOYSA-N
MW279.37 g/mol
LogP-1.45
Rot. Bonds4

About 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 55202949) has the molecular formula C9H21N5O3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID55202949
Molecular FormulaC9H21N5O3S
Molecular Weight279.37 g/mol
Exact Mass279.14
IUPAC Name2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H21N5O3S/c1-8(9(10)11-15)13-4-6-14(7-5-13)18(16,17)12(2)3/h8,15H,4-7H2,1-3H3,(H2,10,11)
InChIKeyBSQWXWREJZVMSK-UHFFFAOYSA-N
XLogP-1.45
TPSA102.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide 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 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 55202949) is 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(/C(N)=N/O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is BSQWXWREJZVMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O3S/c1-8(9(10)11-15)13-4-6-14(7-5-13)18(16,17)12(2)3/h8,15H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 279.37 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55202949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).