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

C8H14FNO3S — CID 127007464

IUPAC2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol
SMILESCC(CO)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H14FNO3S/c1-7(6-11)14(12,13)10-4-2-3-8(9)5-10/h3,7,11H,2,4-6H2,1H3
InChIKeyATWJRRYTKOONQL-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.26
Rot. Bonds3

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

2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol (PubChem CID 127007464) has the molecular formula C8H14FNO3S and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol
PubChem CID127007464
Molecular FormulaC8H14FNO3S
Molecular Weight223.27 g/mol
Exact Mass223.07
IUPAC Name2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol
SMILESCC(CO)S(=O)(=O)N1CCC=C(F)C1
InChIInChI=1S/C8H14FNO3S/c1-7(6-11)14(12,13)10-4-2-3-8(9)5-10/h3,7,11H,2,4-6H2,1H3
InChIKeyATWJRRYTKOONQL-UHFFFAOYSA-N
XLogP0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.26
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-ol?
The IUPAC name of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol (CID 127007464) is 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol?
The canonical SMILES for 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol is CC(CO)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-ol?
The InChIKey is ATWJRRYTKOONQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3S/c1-7(6-11)14(12,13)10-4-2-3-8(9)5-10/h3,7,11H,2,4-6H2,1H3.
What are the key properties of 2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol?
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propan-1-ol has a molecular weight of 223.27 g/mol, XLogP of 0.26, 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-ol is sourced from PubChem (CID 127007464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).