2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine

C8H14FNO2S — CID 105460345

IUPAC2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1=CCS(=O)(=O)CC1
InChIInChI=1S/C8H14FNO2S/c1-8(9,6-10)7-2-4-13(11,12)5-3-7/h2H,3-6,10H2,1H3
InChIKeyXWLISBBCWCIOBX-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.42
Rot. Bonds2

About 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine

2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine (PubChem CID 105460345) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
PubChem CID105460345
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1=CCS(=O)(=O)CC1
InChIInChI=1S/C8H14FNO2S/c1-8(9,6-10)7-2-4-13(11,12)5-3-7/h2H,3-6,10H2,1H3
InChIKeyXWLISBBCWCIOBX-UHFFFAOYSA-N
XLogP0.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
CID 105446954
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
CID 105464841
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 105436281
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)propan-1-amine
CID 105443926
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-methylpropan-1-amine
CID 105455803

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine (CID 105460345) is 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine is CC(F)(CN)C1=CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
The InChIKey is XWLISBBCWCIOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-8(9,6-10)7-2-4-13(11,12)5-3-7/h2H,3-6,10H2,1H3.
What are the key properties of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine?
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 105460345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).