N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide

C11H24N4O3S — CID 77012657

IUPACN'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
SMILESCCCS(=O)(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4O3S/c1-4-9-19(17,18)15-7-5-14(6-8-15)11(2,3)10(12)13-16/h16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyHKFYEYWFJGKIQE-UHFFFAOYSA-N
MW292.41 g/mol
LogP-0.13
Rot. Bonds5

About N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide

N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide (PubChem CID 77012657) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
PubChem CID77012657
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
SMILESCCCS(=O)(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4O3S/c1-4-9-19(17,18)15-7-5-14(6-8-15)11(2,3)10(12)13-16/h16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyHKFYEYWFJGKIQE-UHFFFAOYSA-N
XLogP-0.13
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide (CID 77012657) is N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide is CCCS(=O)(=O)N1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide?
The InChIKey is HKFYEYWFJGKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-4-9-19(17,18)15-7-5-14(6-8-15)11(2,3)10(12)13-16/h16H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide?
N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide has a molecular weight of 292.41 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 77012657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).