2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide

C11H24N4O3S — CID 55203139

IUPAC2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide
SMILESCCCCS(=O)(=O)N1CCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O3S/c1-3-4-9-19(17,18)15-7-5-14(6-8-15)10(2)11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyAFZWNONYBUMSCA-UHFFFAOYSA-N
MW292.41 g/mol
LogP-0.13
Rot. Bonds6

About 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide

2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 55203139) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide
PubChem CID55203139
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC Name2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide
SMILESCCCCS(=O)(=O)N1CCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O3S/c1-3-4-9-19(17,18)15-7-5-14(6-8-15)10(2)11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyAFZWNONYBUMSCA-UHFFFAOYSA-N
XLogP-0.13
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-0.13
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-butylsulfonylpiperazin-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-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide (CID 55203139) is 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide is CCCCS(=O)(=O)N1CCN(C(C)/C(N)=N/O)CC1.
What is the InChIKey of 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is AFZWNONYBUMSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-3-4-9-19(17,18)15-7-5-14(6-8-15)10(2)11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide?
2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 292.41 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 55203139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).