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

C8H12F3N3O2S — CID 114807687

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)6-13-17(15,16)14-7(5-12)3-1-2-4-7/h13-14H,1-4,6H2
InChIKeyCBHRPYSOPGPHMR-UHFFFAOYSA-N
MW271.26 g/mol
LogP0.81
Rot. Bonds4

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

1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807687) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807687
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)6-13-17(15,16)14-7(5-12)3-1-2-4-7/h13-14H,1-4,6H2
InChIKeyCBHRPYSOPGPHMR-UHFFFAOYSA-N
XLogP0.81
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637017
2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile
CID 113637036
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341
1-(Propylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807688
1-(Cyclopropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807689
1-(Ethylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807690
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807692
1-(2-Methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114815070

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807687) is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile is N#CC1(NS(=O)(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is CBHRPYSOPGPHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c9-8(10,11)6-13-17(15,16)14-7(5-12)3-1-2-4-7/h13-14H,1-4,6H2.
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile?
1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 271.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).