2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide

C9H20N4O3S — CID 55250195

IUPAC2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESCCS(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O3S/c1-2-17(15,16)12-8-3-5-13(6-4-8)7-9(10)11-14/h8,12,14H,2-7H2,1H3,(H2,10,11)
InChIKeyVFORTJNXTJDSPC-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.86
Rot. Bonds5

About 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide

2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 55250195) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID55250195
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESCCS(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O3S/c1-2-17(15,16)12-8-3-5-13(6-4-8)7-9(10)11-14/h8,12,14H,2-7H2,1H3,(H2,10,11)
InChIKeyVFORTJNXTJDSPC-UHFFFAOYSA-N
XLogP-0.86
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
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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Related Compounds

2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 77002498
2-[4-(4,4,4-Trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide
CID 83047914
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide
CID 43581535
N'-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)butanimidamide
CID 55136210
N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 55202948
N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanimidamide
CID 55203110
2-(4-butylsulfonylpiperazin-1-yl)-N'-hydroxypropanimidamide
CID 55203139
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxybutanimidamide
CID 55203331
N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide
CID 55247300
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)piperidin-1-yl]ethanimidamide
CID 55250196
3-(4-Methylsulfonylpiperazin-1-yl)pentanimidamide
CID 62993961
2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 63626978

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide (CID 55250195) is 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide is CCS(=O)(=O)NC1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is VFORTJNXTJDSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-2-17(15,16)12-8-3-5-13(6-4-8)7-9(10)11-14/h8,12,14H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 55250195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).