N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide

C8H15F3N2O2S — CID 63258310

IUPACN-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide
SMILESNC1CCCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-7-5-3-1-2-4-6(7)12/h6-7,13H,1-5,12H2
InChIKeyUPZKODTVDKMQLO-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.09
Rot. Bonds2

About N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide

N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 63258310) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID63258310
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide
SMILESNC1CCCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-7-5-3-1-2-4-6(7)12/h6-7,13H,1-5,12H2
InChIKeyUPZKODTVDKMQLO-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide (CID 63258310) is N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide is NC1CCCCCC1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is UPZKODTVDKMQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-7-5-3-1-2-4-6(7)12/h6-7,13H,1-5,12H2.
What are the key properties of N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63258310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).