1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide

C7H12F2N2O2S2 — CID 61124457

IUPAC1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H12F2N2O2S2/c8-6(9)15(12,13)11-7(5(10)14)3-1-2-4-7/h6,11H,1-4H2,(H2,10,14)
InChIKeySIPVDCDQKKVBBK-UHFFFAOYSA-N
MW258.31 g/mol
LogP0.73
Rot. Bonds4

About 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide

1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 61124457) has the molecular formula C7H12F2N2O2S2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID61124457
Molecular FormulaC7H12F2N2O2S2
Molecular Weight258.31 g/mol
Exact Mass258.03
IUPAC Name1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H12F2N2O2S2/c8-6(9)15(12,13)11-7(5(10)14)3-1-2-4-7/h6,11H,1-4H2,(H2,10,14)
InChIKeySIPVDCDQKKVBBK-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
1-(Difluoromethylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122077
2-(Difluoromethylsulfonylamino)-2-ethylbutanethioamide
CID 61124289
1-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide
CID 83058503
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808135
N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide
CID 126991400
1-(Methanesulfonamido)cyclopentane-1-carbothioamide
CID 61122654

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide (CID 61124457) is 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)C(F)F)CCCC1.
What is the InChIKey of 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is SIPVDCDQKKVBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2S2/c8-6(9)15(12,13)11-7(5(10)14)3-1-2-4-7/h6,11H,1-4H2,(H2,10,14).
What are the key properties of 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide?
1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 258.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61124457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).