2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine

C8H15FN2O2S — CID 130816249

IUPAC2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H15FN2O2S/c1-7(5-10)14(12,13)11-4-2-3-8(9)6-11/h3,7H,2,4-6,10H2,1H3
InChIKeyPZUWZLJAAKISOU-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.22
Rot. Bonds3

About 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine

2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine (PubChem CID 130816249) has the molecular formula C8H15FN2O2S and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine
PubChem CID130816249
Molecular FormulaC8H15FN2O2S
Molecular Weight222.28 g/mol
Exact Mass222.08
IUPAC Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H15FN2O2S/c1-7(5-10)14(12,13)11-4-2-3-8(9)6-11/h3,7H,2,4-6,10H2,1H3
InChIKeyPZUWZLJAAKISOU-UHFFFAOYSA-N
XLogP0.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine?
The IUPAC name of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine (CID 130816249) is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine?
The canonical SMILES for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine is CC(CN)S(=O)(=O)N1CCC=C(F)C1.
What is the InChIKey of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine?
The InChIKey is PZUWZLJAAKISOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2S/c1-7(5-10)14(12,13)11-4-2-3-8(9)6-11/h3,7H,2,4-6,10H2,1H3.
What are the key properties of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine?
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine has a molecular weight of 222.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-amine is sourced from PubChem (CID 130816249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).