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

C7H12FNO2S — CID 105446954

IUPAC2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCS(=O)(=O)CC1
InChIInChI=1S/C7H12FNO2S/c8-7(5-9)6-1-3-12(10,11)4-2-6/h1,7H,2-5,9H2
InChIKeyPZQGICRKSFRZDJ-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.03
Rot. Bonds2

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

2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine (PubChem CID 105446954) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
PubChem CID105446954
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCS(=O)(=O)CC1
InChIInChI=1S/C7H12FNO2S/c8-7(5-9)6-1-3-12(10,11)4-2-6/h1,7H,2-5,9H2
InChIKeyPZQGICRKSFRZDJ-UHFFFAOYSA-N
XLogP0.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.03
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-fluoroethanamine
CID 105431710
(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-fluoromethanamine
CID 105437959
1-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1-fluoroethanamine
CID 105446955
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoropropan-1-amine
CID 105460345
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,2-difluoroethanamine
CID 105464841
(2Z)-2-(1,1-dioxothian-3-ylidene)ethanamine
CID 63969240
3-(1,1-Dioxothian-4-ylidene)propan-1-amine
CID 63970302
2-(1,1-Dioxothian-4-ylidene)ethanamine
CID 63970719
3-(1,1-Dioxothian-3-ylidene)propan-1-amine
CID 76996987
2-(1,1-Dioxothian-3-ylidene)ethanamine
CID 76997078
(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)methanamine
CID 105431707
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)ethanamine
CID 105436281

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
The IUPAC name of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine (CID 105446954) is 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine is NCC(F)C1=CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
The InChIKey is PZQGICRKSFRZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c8-7(5-9)6-1-3-12(10,11)4-2-6/h1,7H,2-5,9H2.
What are the key properties of 2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine?
2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-fluoroethanamine has a molecular weight of 193.24 g/mol, XLogP of 0.03, 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-fluoroethanamine is sourced from PubChem (CID 105446954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).