N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide

C9H20N4O3S — CID 55203110

IUPACN'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide
SMILESCC(C)S(=O)(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O3S/c1-8(2)17(15,16)13-5-3-12(4-6-13)7-9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyJILAIVOOQQJHKY-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.91
Rot. Bonds4

About N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide

N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide (PubChem CID 55203110) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide
PubChem CID55203110
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide
SMILESCC(C)S(=O)(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O3S/c1-8(2)17(15,16)13-5-3-12(4-6-13)7-9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyJILAIVOOQQJHKY-UHFFFAOYSA-N
XLogP-0.91
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.91
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-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide (CID 55203110) is N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide is CC(C)S(=O)(=O)N1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide?
The InChIKey is JILAIVOOQQJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-8(2)17(15,16)13-5-3-12(4-6-13)7-9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide?
N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide is sourced from PubChem (CID 55203110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).