1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide

C10H17F3N2O2S2 — CID 83058503

IUPAC1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H17F3N2O2S2/c11-10(12,13)6-3-7-19(16,17)15-9(8(14)18)4-1-2-5-9/h15H,1-7H2,(H2,14,18)
InChIKeyGHZIHDQJIXELNP-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.85
Rot. Bonds6

About 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide

1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 83058503) has the molecular formula C10H17F3N2O2S2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID83058503
Molecular FormulaC10H17F3N2O2S2
Molecular Weight318.39 g/mol
Exact Mass318.07
IUPAC Name1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H17F3N2O2S2/c11-10(12,13)6-3-7-19(16,17)15-9(8(14)18)4-1-2-5-9/h15H,1-7H2,(H2,14,18)
InChIKeyGHZIHDQJIXELNP-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.85
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 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide (CID 83058503) is 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)CCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is GHZIHDQJIXELNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S2/c11-10(12,13)6-3-7-19(16,17)15-9(8(14)18)4-1-2-5-9/h15H,1-7H2,(H2,14,18).
What are the key properties of 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide?
1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 318.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 83058503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).