2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

C7H13F2N3O3S — CID 76979002

IUPAC2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-5-3-1-2-4(5)6(10)11-13/h4-5,7,12-13H,1-3H2,(H2,10,11)
InChIKeyXMHZPQKCBCUJGF-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.04
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76979002) has the molecular formula C7H13F2N3O3S and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76979002
Molecular FormulaC7H13F2N3O3S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC Name2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-5-3-1-2-4(5)6(10)11-13/h4-5,7,12-13H,1-3H2,(H2,10,11)
InChIKeyXMHZPQKCBCUJGF-UHFFFAOYSA-N
XLogP0.04
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
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-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 76979002) is 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is XMHZPQKCBCUJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-5-3-1-2-4(5)6(10)11-13/h4-5,7,12-13H,1-3H2,(H2,10,11).
What are the key properties of 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 257.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76979002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).