2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

C11H23N5O3S — CID 104978482

IUPAC2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H23N5O3S/c1-11(2,10(12)13-17)15-5-7-16(8-6-15)20(18,19)14-9-3-4-9/h9,14,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPZELZNCNUSPHCH-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.87
Rot. Bonds5

About 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104978482) has the molecular formula C11H23N5O3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID104978482
Molecular FormulaC11H23N5O3S
Molecular Weight305.40 g/mol
Exact Mass305.15
IUPAC Name2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C11H23N5O3S/c1-11(2,10(12)13-17)15-5-7-16(8-6-15)20(18,19)14-9-3-4-9/h9,14,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPZELZNCNUSPHCH-UHFFFAOYSA-N
XLogP-0.87
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
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-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide 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-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 104978482) is 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CC(C)(C(N)=NO)N1CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is PZELZNCNUSPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O3S/c1-11(2,10(12)13-17)15-5-7-16(8-6-15)20(18,19)14-9-3-4-9/h9,14,17H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 305.40 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104978482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).