2-fluoro-N-(2-methylsulfonylethyl)ethanamine

C5H12FNO2S — CID 79006887

IUPAC2-fluoro-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCF
InChIInChI=1S/C5H12FNO2S/c1-10(8,9)5-4-7-3-2-6/h7H,2-5H2,1H3
InChIKeyFCOOIYRXBZMVGT-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.41
Rot. Bonds5

About 2-fluoro-N-(2-methylsulfonylethyl)ethanamine

2-fluoro-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 79006887) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(2-methylsulfonylethyl)ethanamine
PubChem CID79006887
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name2-fluoro-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCF
InChIInChI=1S/C5H12FNO2S/c1-10(8,9)5-4-7-3-2-6/h7H,2-5H2,1H3
InChIKeyFCOOIYRXBZMVGT-UHFFFAOYSA-N
XLogP-0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Methanesulfonylethyl)(methyl)amine
CID 3856040
(2-Methanesulfonylethyl)(propan-2-yl)amine
CID 60708370
(2-(Ethanesulfonyl)ethyl)(methyl)amine hydrochloride
CID 53433680
Ethyl(1-methanesulfonylpropan-2-yl)amine
CID 54592972
2-(Ethylamino)ethanesulfonyl fluoride;hydrochloride
CID 177801733
2-(ethylsulfonyl)-N-methylethanamine
CID 14677075
(3-Methanesulfonylpropyl)(methyl)amine
CID 22277805
N-ethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 155411070
N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 43807685
2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine
CID 60916716
(2,2-Difluoroethyl)(2-methanesulfonylethyl)amine
CID 60922396
3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 61036607

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(2-methylsulfonylethyl)ethanamine (CID 79006887) is 2-fluoro-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCNCCF.
What is the InChIKey of 2-fluoro-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is FCOOIYRXBZMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-10(8,9)5-4-7-3-2-6/h7H,2-5H2,1H3.
What are the key properties of 2-fluoro-N-(2-methylsulfonylethyl)ethanamine?
2-fluoro-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 169.22 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 79006887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).