N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide

C13H20FN3O2S — CID 62007636

IUPACN-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C13H20FN3O2S/c1-2-17(13(10-15)5-3-4-6-13)20(18,19)12-7-11(14)8-16-9-12/h7-9H,2-6,10,15H2,1H3
InChIKeyXEHGUQZXSILKLD-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.50
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide (PubChem CID 62007636) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide
PubChem CID62007636
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C13H20FN3O2S/c1-2-17(13(10-15)5-3-4-6-13)20(18,19)12-7-11(14)8-16-9-12/h7-9H,2-6,10,15H2,1H3
InChIKeyXEHGUQZXSILKLD-UHFFFAOYSA-N
XLogP1.50
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide (CID 62007636) is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide is CCN(C1(CN)CCCC1)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide?
The InChIKey is XEHGUQZXSILKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-2-17(13(10-15)5-3-4-6-13)20(18,19)12-7-11(14)8-16-9-12/h7-9H,2-6,10,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 62007636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).