2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C10H22N4O3S — CID 55203523

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCS(=O)(=O)N1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O3S/c1-4-18(16,17)14-7-5-13(6-8-14)10(2,3)9(11)12-15/h15H,4-8H2,1-3H3,(H2,11,12)
InChIKeyKMKBZORLVINKCI-UHFFFAOYSA-N
MW278.38 g/mol
LogP-0.52
Rot. Bonds4

About 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide

2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 55203523) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID55203523
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCS(=O)(=O)N1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O3S/c1-4-18(16,17)14-7-5-13(6-8-14)10(2,3)9(11)12-15/h15H,4-8H2,1-3H3,(H2,11,12)
InChIKeyKMKBZORLVINKCI-UHFFFAOYSA-N
XLogP-0.52
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.52
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 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 55203523) is 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CCS(=O)(=O)N1CCN(C(C)(C)/C(N)=N/O)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is KMKBZORLVINKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-4-18(16,17)14-7-5-13(6-8-14)10(2,3)9(11)12-15/h15H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 278.38 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 55203523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).