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

C8H16F2N4O3S — CID 77002498

IUPAC2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCC(NS(=O)(=O)C(F)F)CC1)=NO
InChIInChI=1S/C8H16F2N4O3S/c9-8(10)18(16,17)13-6-1-3-14(4-2-6)5-7(11)12-15/h6,8,13,15H,1-5H2,(H2,11,12)
InChIKeyBEWWMRCNFFXZGA-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.66
Rot. Bonds5

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

2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77002498) has the molecular formula C8H16F2N4O3S and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77002498
Molecular FormulaC8H16F2N4O3S
Molecular Weight286.30 g/mol
Exact Mass286.09
IUPAC Name2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCC(NS(=O)(=O)C(F)F)CC1)=NO
InChIInChI=1S/C8H16F2N4O3S/c9-8(10)18(16,17)13-6-1-3-14(4-2-6)5-7(11)12-15/h6,8,13,15H,1-5H2,(H2,11,12)
InChIKeyBEWWMRCNFFXZGA-UHFFFAOYSA-N
XLogP-0.66
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.66
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide (CID 77002498) is 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide is NC(CN1CCC(NS(=O)(=O)C(F)F)CC1)=NO.
What is the InChIKey of 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is BEWWMRCNFFXZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N4O3S/c9-8(10)18(16,17)13-6-1-3-14(4-2-6)5-7(11)12-15/h6,8,13,15H,1-5H2,(H2,11,12).
What are the key properties of 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 286.30 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonylamino)piperidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77002498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).