N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine

C6H14FNO2S — CID 80695841

IUPACN-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCF
InChIInChI=1S/C6H14FNO2S/c1-6(8-4-3-7)5-11(2,9)10/h6,8H,3-5H2,1-2H3
InChIKeyAQLCLSVYGXVLLX-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.02
Rot. Bonds5

About N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine

N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine (PubChem CID 80695841) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine
PubChem CID80695841
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC NameN-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCF
InChIInChI=1S/C6H14FNO2S/c1-6(8-4-3-7)5-11(2,9)10/h6,8H,3-5H2,1-2H3
InChIKeyAQLCLSVYGXVLLX-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine (CID 80695841) is N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine?
The InChIKey is AQLCLSVYGXVLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-6(8-4-3-7)5-11(2,9)10/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine?
N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine has a molecular weight of 183.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 80695841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).