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

C10H16F3N3O2S — CID 114807710

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H16F3N3O2S/c11-10(12,13)8-15-19(17,18)16-9(7-14)5-3-1-2-4-6-9/h15-16H,1-6,8H2
InChIKeyVDEGNTAYFJKFTO-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.59
Rot. Bonds4

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

1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile (PubChem CID 114807710) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
PubChem CID114807710
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H16F3N3O2S/c11-10(12,13)8-15-19(17,18)16-9(7-14)5-3-1-2-4-6-9/h15-16H,1-6,8H2
InChIKeyVDEGNTAYFJKFTO-UHFFFAOYSA-N
XLogP1.59
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637017
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
CID 114803358
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807707
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807746
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810377
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine;hydrochloride
CID 121673042
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637022
1-(Propan-2-ylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637023
1-(Propylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807711
1-(Ethylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807712
1-(Methylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807713
1-(2-Methylpropylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114815075

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile (CID 114807710) is 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile is N#CC1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile?
The InChIKey is VDEGNTAYFJKFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c11-10(12,13)8-15-19(17,18)16-9(7-14)5-3-1-2-4-6-9/h15-16H,1-6,8H2.
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile?
1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile has a molecular weight of 299.32 g/mol, XLogP of 1.59, 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)cycloheptane-1-carbonitrile is sourced from PubChem (CID 114807710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).