N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide

C10H22N4O4S — CID 55250196

IUPACN'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide
SMILESCOCCS(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O4S/c1-18-6-7-19(16,17)13-9-2-4-14(5-3-9)8-10(11)12-15/h9,13,15H,2-8H2,1H3,(H2,11,12)
InChIKeyDCDBFRVOGRLYRM-UHFFFAOYSA-N
MW294.38 g/mol
LogP-1.24
Rot. Bonds7

About N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide (PubChem CID 55250196) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide
PubChem CID55250196
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC NameN'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide
SMILESCOCCS(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O4S/c1-18-6-7-19(16,17)13-9-2-4-14(5-3-9)8-10(11)12-15/h9,13,15H,2-8H2,1H3,(H2,11,12)
InChIKeyDCDBFRVOGRLYRM-UHFFFAOYSA-N
XLogP-1.24
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide (CID 55250196) is N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide is COCCS(=O)(=O)NC1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide?
The InChIKey is DCDBFRVOGRLYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4S/c1-18-6-7-19(16,17)13-9-2-4-14(5-3-9)8-10(11)12-15/h9,13,15H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide has a molecular weight of 294.38 g/mol, XLogP of -1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 55250196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).