2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide

C11H25N5O2S — CID 114813384

IUPAC2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H25N5O2S/c1-9(10(12)13)15-5-7-16(8-6-15)19(17,18)14-11(2,3)4/h9,14H,5-8H2,1-4H3,(H3,12,13)
InChIKeyQYQHVKFOFYWRLA-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.44
Rot. Bonds4

About 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide

2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide (PubChem CID 114813384) has the molecular formula C11H25N5O2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide
PubChem CID114813384
Molecular FormulaC11H25N5O2S
Molecular Weight291.42 g/mol
Exact Mass291.17
IUPAC Name2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H25N5O2S/c1-9(10(12)13)15-5-7-16(8-6-15)19(17,18)14-11(2,3)4/h9,14H,5-8H2,1-4H3,(H3,12,13)
InChIKeyQYQHVKFOFYWRLA-UHFFFAOYSA-N
XLogP-0.44
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide 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-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide (CID 114813384) is 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide is [H]/N=C(\N)C(C)N1CCN(S(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide?
The InChIKey is QYQHVKFOFYWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O2S/c1-9(10(12)13)15-5-7-16(8-6-15)19(17,18)14-11(2,3)4/h9,14H,5-8H2,1-4H3,(H3,12,13).
What are the key properties of 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide?
2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide has a molecular weight of 291.42 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 114813384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).