3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine

C6H10FNS — CID 105429080

IUPAC3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine
SMILESNC(F)C1=CCSCC1
InChIInChI=1S/C6H10FNS/c7-6(8)5-1-3-9-4-2-5/h1,6H,2-4,8H2
InChIKeyWVOHXCMYJHHTNZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.30
Rot. Bonds1

About 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine

3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine (PubChem CID 105429080) has the molecular formula C6H10FNS and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine
PubChem CID105429080
Molecular FormulaC6H10FNS
Molecular Weight147.22 g/mol
Exact Mass147.05
IUPAC Name3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine
SMILESNC(F)C1=CCSCC1
InChIInChI=1S/C6H10FNS/c7-6(8)5-1-3-9-4-2-5/h1,6H,2-4,8H2
InChIKeyWVOHXCMYJHHTNZ-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
CID 105431710
3,6-dihydro-2H-thiopyran-4-yl(difluoro)methanamine
CID 105432721
2-(3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
CID 105436284
(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-fluoromethanamine
CID 105437959
2-(3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
CID 105438189
2-(Thian-4-ylidene)ethan-1-amine
CID 112655253
2-Fluoro-2-(thian-4-ylidene)ethan-1-amine
CID 155822586
2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 55290343
3,6-dihydro-2H-thiopyran-4-ylmethanamine
CID 105427487
1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 105428579

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine?
The IUPAC name of 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine (CID 105429080) is 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine is NC(F)C1=CCSCC1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine?
The InChIKey is WVOHXCMYJHHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNS/c7-6(8)5-1-3-9-4-2-5/h1,6H,2-4,8H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine?
3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine has a molecular weight of 147.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran-4-yl(fluoro)methanamine is sourced from PubChem (CID 105429080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).