1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine

C10H13FN2S2 — CID 104738535

IUPAC1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)C1CSCCS1
InChIInChI=1S/C10H13FN2S2/c11-8-5-13-2-1-7(8)10(12)9-6-14-3-4-15-9/h1-2,5,9-10H,3-4,6,12H2
InChIKeyAMFZGSJVWXUCDI-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.07
Rot. Bonds2

About 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine

1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 104738535) has the molecular formula C10H13FN2S2 and a molecular weight of 244.36 g/mol. Its IUPAC name is 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine
PubChem CID104738535
Molecular FormulaC10H13FN2S2
Molecular Weight244.36 g/mol
Exact Mass244.05
IUPAC Name1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)C1CSCCS1
InChIInChI=1S/C10H13FN2S2/c11-8-5-13-2-1-7(8)10(12)9-6-14-3-4-15-9/h1-2,5,9-10H,3-4,6,12H2
InChIKeyAMFZGSJVWXUCDI-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine (CID 104738535) is 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine is NC(c1ccncc1F)C1CSCCS1.
What is the InChIKey of 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is AMFZGSJVWXUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S2/c11-8-5-13-2-1-7(8)10(12)9-6-14-3-4-15-9/h1-2,5,9-10H,3-4,6,12H2.
What are the key properties of 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine?
1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 104738535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).