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

C11H25N5O3S — CID 104978467

IUPAC2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H25N5O3S/c1-9(10(12)13-17)15-5-7-16(8-6-15)20(18,19)14-11(2,3)4/h9,14,17H,5-8H2,1-4H3,(H2,12,13)
InChIKeyHCCKVVMLZONGDW-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.63
Rot. Bonds4

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

2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 104978467) has the molecular formula C11H25N5O3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID104978467
Molecular FormulaC11H25N5O3S
Molecular Weight307.42 g/mol
Exact Mass307.17
IUPAC Name2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H25N5O3S/c1-9(10(12)13-17)15-5-7-16(8-6-15)20(18,19)14-11(2,3)4/h9,14,17H,5-8H2,1-4H3,(H2,12,13)
InChIKeyHCCKVVMLZONGDW-UHFFFAOYSA-N
XLogP-0.63
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 104978467) is 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(S(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is HCCKVVMLZONGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O3S/c1-9(10(12)13-17)15-5-7-16(8-6-15)20(18,19)14-11(2,3)4/h9,14,17H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 307.42 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).