N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide

C10H17F3N2O2S — CID 163513892

IUPACN-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide
SMILESNC1CC12CCC(NS(=O)(=O)CC(F)(F)F)CC2
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)6-18(16,17)15-7-1-3-9(4-2-7)5-8(9)14/h7-8,15H,1-6,14H2
InChIKeyDFAVUCPJDOYXHP-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.13
Rot. Bonds3

About N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide

N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 163513892) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID163513892
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide
SMILESNC1CC12CCC(NS(=O)(=O)CC(F)(F)F)CC2
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)6-18(16,17)15-7-1-3-9(4-2-7)5-8(9)14/h7-8,15H,1-6,14H2
InChIKeyDFAVUCPJDOYXHP-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide (CID 163513892) is N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide is NC1CC12CCC(NS(=O)(=O)CC(F)(F)F)CC2.
What is the InChIKey of N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is DFAVUCPJDOYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)6-18(16,17)15-7-1-3-9(4-2-7)5-8(9)14/h7-8,15H,1-6,14H2.
What are the key properties of N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide?
N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 286.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminospiro[2.5]octan-6-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 163513892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).