N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide

C8H16F2N2O2S — CID 63765797

IUPACN-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
SMILESNCCN(C1CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12(6-5-11)7-3-1-2-4-7/h7-8H,1-6,11H2
InChIKeyGGYQSVZZYKASDT-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.74
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide

N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide (PubChem CID 63765797) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
PubChem CID63765797
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
SMILESNCCN(C1CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12(6-5-11)7-3-1-2-4-7/h7-8H,1-6,11H2
InChIKeyGGYQSVZZYKASDT-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide (CID 63765797) is N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide is NCCN(C1CCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The InChIKey is GGYQSVZZYKASDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12(6-5-11)7-3-1-2-4-7/h7-8H,1-6,11H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63765797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).