2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine

C7H14FNO2S — CID 105449133

IUPAC2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine
SMILESCNCC(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-9-4-7(8)6-2-3-12(10,11)5-6/h6-7,9H,2-5H2,1H3
InChIKeyDLKNJEPOFWLXJS-UHFFFAOYSA-N
MW195.26 g/mol
LogP-0.02
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine

2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine (PubChem CID 105449133) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine
PubChem CID105449133
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine
SMILESCNCC(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-9-4-7(8)6-2-3-12(10,11)5-6/h6-7,9H,2-5H2,1H3
InChIKeyDLKNJEPOFWLXJS-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione
CID 53536960
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione hydrochloride
CID 53536959
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2,2-diethylbutan-1-amine
CID 97262516
2-(1,1-Dioxidotetrahydro-3-thienyl)ethanamine
CID 200361
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61057655
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-difluoroethanamine
CID 61058644
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306167
N-[(1,1-dioxothiolan-3-yl)methyl]-2-fluoroethanamine
CID 80695503
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoroethanamine
CID 81039416
N-[(1,1-dioxothiolan-3-yl)methyl]-3-fluoropropan-1-amine
CID 81105893
4-[1-(2-Fluoroethylsulfonyl)ethyl]piperidine
CID 84020121

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine (CID 105449133) is 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine is CNCC(F)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
The InChIKey is DLKNJEPOFWLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-9-4-7(8)6-2-3-12(10,11)5-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine has a molecular weight of 195.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine is sourced from PubChem (CID 105449133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).