N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide

C11H25N5O3S — CID 104978485

IUPACN'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide
SMILESCCCNS(=O)(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H25N5O3S/c1-4-5-13-20(18,19)16-8-6-15(7-9-16)11(2,3)10(12)14-17/h13,17H,4-9H2,1-3H3,(H2,12,14)
InChIKeyNMTCHYSQEYRIJI-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.63
Rot. Bonds6

About N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide (PubChem CID 104978485) has the molecular formula C11H25N5O3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide
PubChem CID104978485
Molecular FormulaC11H25N5O3S
Molecular Weight307.42 g/mol
Exact Mass307.17
IUPAC NameN'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide
SMILESCCCNS(=O)(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H25N5O3S/c1-4-5-13-20(18,19)16-8-6-15(7-9-16)11(2,3)10(12)14-17/h13,17H,4-9H2,1-3H3,(H2,12,14)
InChIKeyNMTCHYSQEYRIJI-UHFFFAOYSA-N
XLogP-0.63
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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 N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide (CID 104978485) is N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide is CCCNS(=O)(=O)N1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide?
The InChIKey is NMTCHYSQEYRIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O3S/c1-4-5-13-20(18,19)16-8-6-15(7-9-16)11(2,3)10(12)14-17/h13,17H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide has a molecular weight of 307.42 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(propylsulfamoyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 104978485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).