3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol

C10H13FN2OS — CID 126769914

IUPAC3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
SMILESOC1(CNc2ncccc2F)CCSC1
InChIInChI=1S/C10H13FN2OS/c11-8-2-1-4-12-9(8)13-6-10(14)3-5-15-7-10/h1-2,4,14H,3,5-7H2,(H,12,13)
InChIKeyUGNXIEGUJUYDAF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.50
Rot. Bonds3

About 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol

3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol (PubChem CID 126769914) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
PubChem CID126769914
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
SMILESOC1(CNc2ncccc2F)CCSC1
InChIInChI=1S/C10H13FN2OS/c11-8-2-1-4-12-9(8)13-6-10(14)3-5-15-7-10/h1-2,4,14H,3,5-7H2,(H,12,13)
InChIKeyUGNXIEGUJUYDAF-UHFFFAOYSA-N
XLogP1.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol (CID 126769914) is 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol is OC1(CNc2ncccc2F)CCSC1.
What is the InChIKey of 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol?
The InChIKey is UGNXIEGUJUYDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-8-2-1-4-12-9(8)13-6-10(14)3-5-15-7-10/h1-2,4,14H,3,5-7H2,(H,12,13).
What are the key properties of 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol?
3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol has a molecular weight of 228.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol is sourced from PubChem (CID 126769914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).