1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine

C11H22F3N3O2S — CID 114803352

IUPAC1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H22F3N3O2S/c12-11(13,14)9-16-20(18,19)17-10(8-15)6-4-2-1-3-5-7-10/h16-17H,1-9,15H2
InChIKeySNKLWEUWVFDTGE-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.41
Rot. Bonds5

About 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine

1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine (PubChem CID 114803352) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
PubChem CID114803352
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H22F3N3O2S/c12-11(13,14)9-16-20(18,19)17-10(8-15)6-4-2-1-3-5-7-10/h16-17H,1-9,15H2
InChIKeySNKLWEUWVFDTGE-UHFFFAOYSA-N
XLogP1.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
CID 28940620
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
N-[1-(aminomethyl)cyclooctyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047749
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
CID 114803358
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807746
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carbothioamide
CID 114808193
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810377
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813300
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine;hydrochloride
CID 121672586

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine (CID 114803352) is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine is NCC1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine?
The InChIKey is SNKLWEUWVFDTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c12-11(13,14)9-16-20(18,19)17-10(8-15)6-4-2-1-3-5-7-10/h16-17H,1-9,15H2.
What are the key properties of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine?
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine has a molecular weight of 317.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine is sourced from PubChem (CID 114803352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).