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

C11H18F3N3O2S — CID 114807746

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H18F3N3O2S/c12-11(13,14)9-16-20(18,19)17-10(8-15)6-4-2-1-3-5-7-10/h16-17H,1-7,9H2
InChIKeyYBVVTWGTQNHLAZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.98
Rot. Bonds4

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

1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile (PubChem CID 114807746) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
PubChem CID114807746
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H18F3N3O2S/c12-11(13,14)9-16-20(18,19)17-10(8-15)6-4-2-1-3-5-7-10/h16-17H,1-7,9H2
InChIKeyYBVVTWGTQNHLAZ-UHFFFAOYSA-N
XLogP1.98
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide
CID 61134006
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637017
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
CID 114803352
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807707
1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807710
1-(Propylsulfamoylamino)cyclooctane-1-carbonitrile
CID 113637028
1-(Cyclopropylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807747
1-(Ethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807748
1-(Methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
1-(Propan-2-ylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807750
1-(2-Methylpropylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114815085
1-Cyano-1-(sulfamoylamino)cyclooctane
CID 114959123

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile (CID 114807746) is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile is N#CC1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile?
The InChIKey is YBVVTWGTQNHLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c12-11(13,14)9-16-20(18,19)17-10(8-15)6-4-2-1-3-5-7-10/h16-17H,1-7,9H2.
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile?
1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile has a molecular weight of 313.35 g/mol, XLogP of 1.98, 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)cyclooctane-1-carbonitrile is sourced from PubChem (CID 114807746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).