2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide

C10H16FN3O2S — CID 112582959

IUPAC2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
SMILESCCC(NCCS(N)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C10H16FN3O2S/c1-2-9(13-5-6-17(12,15)16)10-4-3-8(11)7-14-10/h3-4,7,9,13H,2,5-6H2,1H3,(H2,12,15,16)
InChIKeyZQJSGOCKQCYWSV-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.55
Rot. Bonds6

About 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide

2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide (PubChem CID 112582959) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
PubChem CID112582959
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
SMILESCCC(NCCS(N)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C10H16FN3O2S/c1-2-9(13-5-6-17(12,15)16)10-4-3-8(11)7-14-10/h3-4,7,9,13H,2,5-6H2,1H3,(H2,12,15,16)
InChIKeyZQJSGOCKQCYWSV-UHFFFAOYSA-N
XLogP0.55
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 112583054
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395927
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide (CID 112582959) is 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide is CCC(NCCS(N)(=O)=O)c1ccc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide?
The InChIKey is ZQJSGOCKQCYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-2-9(13-5-6-17(12,15)16)10-4-3-8(11)7-14-10/h3-4,7,9,13H,2,5-6H2,1H3,(H2,12,15,16).
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide?
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide is sourced from PubChem (CID 112582959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).