2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide

C7H12F2N2O2S2 — CID 62957474

IUPAC2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2S2/c8-7(9)15(12,13)11-5-3-1-2-4(5)6(10)14/h4-5,7,11H,1-3H2,(H2,10,14)
InChIKeyOJUOEYXRZMCISL-UHFFFAOYSA-N
MW258.31 g/mol
LogP0.58
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide

2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 62957474) has the molecular formula C7H12F2N2O2S2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID62957474
Molecular FormulaC7H12F2N2O2S2
Molecular Weight258.31 g/mol
Exact Mass258.03
IUPAC Name2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2S2/c8-7(9)15(12,13)11-5-3-1-2-4(5)6(10)14/h4-5,7,11H,1-3H2,(H2,10,14)
InChIKeyOJUOEYXRZMCISL-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide (CID 62957474) is 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1CCCC1NS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is OJUOEYXRZMCISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2S2/c8-7(9)15(12,13)11-5-3-1-2-4(5)6(10)14/h4-5,7,11H,1-3H2,(H2,10,14).
What are the key properties of 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 258.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).