1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide

C8H14F3N3O2S2 — CID 114808135

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C8H14F3N3O2S2/c9-8(10,11)5-13-18(15,16)14-7(6(12)17)3-1-2-4-7/h13-14H,1-5H2,(H2,12,17)
InChIKeyIGLAWGHZVHKFIE-UHFFFAOYSA-N
MW305.35 g/mol
LogP0.57
Rot. Bonds5

About 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide

1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114808135) has the molecular formula C8H14F3N3O2S2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114808135
Molecular FormulaC8H14F3N3O2S2
Molecular Weight305.35 g/mol
Exact Mass305.05
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C8H14F3N3O2S2/c9-8(10,11)5-13-18(15,16)14-7(6(12)17)3-1-2-4-7/h13-14H,1-5H2,(H2,12,17)
InChIKeyIGLAWGHZVHKFIE-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
CID 61124457
N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
CID 63886823
2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113637096
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808141
2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 114808169
1-(Ethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808136
1-(Methylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808137
1-(Propylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808138
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808139
1-(2-Methylpropylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114815213

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide (CID 114808135) is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is IGLAWGHZVHKFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2S2/c9-8(10,11)5-13-18(15,16)14-7(6(12)17)3-1-2-4-7/h13-14H,1-5H2,(H2,12,17).
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide?
1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 305.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114808135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).