2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide

C8H15F2N3O3S — CID 77044678

IUPAC2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)C(F)F)=NO
InChIInChI=1S/C8H15F2N3O3S/c9-8(10)17(15,16)13(5-7(11)12-14)6-3-1-2-4-6/h6,8,14H,1-5H2,(H2,11,12)
InChIKeyKOMODLHSUFPUOA-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.53
Rot. Bonds5

About 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77044678) has the molecular formula C8H15F2N3O3S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide
PubChem CID77044678
Molecular FormulaC8H15F2N3O3S
Molecular Weight271.29 g/mol
Exact Mass271.08
IUPAC Name2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)C(F)F)=NO
InChIInChI=1S/C8H15F2N3O3S/c9-8(10)17(15,16)13(5-7(11)12-14)6-3-1-2-4-6/h6,8,14H,1-5H2,(H2,11,12)
InChIKeyKOMODLHSUFPUOA-UHFFFAOYSA-N
XLogP0.53
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide (CID 77044678) is 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide is NC(CN(C1CCCC1)S(=O)(=O)C(F)F)=NO.
What is the InChIKey of 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is KOMODLHSUFPUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O3S/c9-8(10)17(15,16)13(5-7(11)12-14)6-3-1-2-4-6/h6,8,14H,1-5H2,(H2,11,12).
What are the key properties of 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 271.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).