N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H17F3N2O2S — CID 83059574

IUPACN-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)5-2-6-17(15,16)14-8-4-1-3-7(8)13/h7-8,14H,1-6,13H2
InChIKeyHBSQEDUMGCHQND-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.13
Rot. Bonds5

About N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059574) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059574
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)5-2-6-17(15,16)14-8-4-1-3-7(8)13/h7-8,14H,1-6,13H2
InChIKeyHBSQEDUMGCHQND-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
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-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059574) is N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is NC1CCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is HBSQEDUMGCHQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)5-2-6-17(15,16)14-8-4-1-3-7(8)13/h7-8,14H,1-6,13H2.
What are the key properties of N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).