N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine

C7H14FNO2S — CID 131089518

IUPACN-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCF)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-9(4-3-8)7-2-5-12(10,11)6-7/h7H,2-6H2,1H3
InChIKeyLWHBWNXSQMZWBH-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.07
Rot. Bonds3

About N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine

N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 131089518) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID131089518
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC NameN-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCF)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-9(4-3-8)7-2-5-12(10,11)6-7/h7H,2-6H2,1H3
InChIKeyLWHBWNXSQMZWBH-UHFFFAOYSA-N
XLogP0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cambridge id 5232381
CID 2835677
N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide
CID 2831166
3-(Diethylamino)-1-hydroxythiolan-1-one
CID 2835678
(1,1-Dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate
CID 3113013
N,N,N-Trimethyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium iodide
CID 21206492
[(1,1-Dioxothiolan-3-yl)-methylamino]methyl-trifluoroboranuide
CID 63703311
N-methyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 117574581
1-(2-Fluoroethyl)-3-methylsulfonylpyrrolidine
CID 130629166
N-(2-fluoroethyl)-2-methyl-1,1-dioxothiolan-3-amine
CID 130679626
3-Fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
CID 130684643
N,N,N-trimethyltetrahydrothiophen-3-aminium 1,1-dioxide
CID 414711
N,N-diethyl-1,1-dioxothiolan-3-amine chloride
CID 21179723

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 131089518) is N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine is CN(CCF)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is LWHBWNXSQMZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-9(4-3-8)7-2-5-12(10,11)6-7/h7H,2-6H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine?
N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 195.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 131089518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).