(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane

C8H15FN2OS — CID 164648425

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(C(C)C)N1CCC=C(F)C1
InChIInChI=1S/C8H15FN2OS/c1-7(2)13(10,12)11-5-3-4-8(9)6-11/h4,7,10H,3,5-6H2,1-2H3
InChIKeyNSLJFKCDTZEDRU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.92
Rot. Bonds2

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane (PubChem CID 164648425) has the molecular formula C8H15FN2OS and a molecular weight of 206.29 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane
PubChem CID164648425
Molecular FormulaC8H15FN2OS
Molecular Weight206.29 g/mol
Exact Mass206.09
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(C(C)C)N1CCC=C(F)C1
InChIInChI=1S/C8H15FN2OS/c1-7(2)13(10,12)11-5-3-4-8(9)6-11/h4,7,10H,3,5-6H2,1-2H3
InChIKeyNSLJFKCDTZEDRU-UHFFFAOYSA-N
XLogP1.92
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane (CID 164648425) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane is [H]N=S(=O)(C(C)C)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane?
The InChIKey is NSLJFKCDTZEDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2OS/c1-7(2)13(10,12)11-5-3-4-8(9)6-11/h4,7,10H,3,5-6H2,1-2H3.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane has a molecular weight of 206.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-imino-oxo-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 164648425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).