N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C10H19F3N2O2S — CID 83058673

IUPACN-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCC1CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)5-2-6-18(16,17)15-7-8-3-1-4-9(8)14/h8-9,15H,1-7,14H2
InChIKeyJGPWHGWGZNEWGP-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds6

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

N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058673) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058673
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCC1CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)5-2-6-18(16,17)15-7-8-3-1-4-9(8)14/h8-9,15H,1-7,14H2
InChIKeyJGPWHGWGZNEWGP-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83058673) is N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is NC1CCCC1CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is JGPWHGWGZNEWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)5-2-6-18(16,17)15-7-8-3-1-4-9(8)14/h8-9,15H,1-7,14H2.
What are the key properties of N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).