2-(4-fluorobutylsulfonyl)ethanamine

C6H14FNO2S — CID 58684295

IUPAC2-(4-fluorobutylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCCCF
InChIInChI=1S/C6H14FNO2S/c7-3-1-2-5-11(9,10)6-4-8/h1-6,8H2
InChIKeyOPNDTHNFOORQGL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds6

About 2-(4-fluorobutylsulfonyl)ethanamine

2-(4-fluorobutylsulfonyl)ethanamine (PubChem CID 58684295) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(4-fluorobutylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorobutylsulfonyl)ethanamine
PubChem CID58684295
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name2-(4-fluorobutylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCCCF
InChIInChI=1S/C6H14FNO2S/c7-3-1-2-5-11(9,10)6-4-8/h1-6,8H2
InChIKeyOPNDTHNFOORQGL-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
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

3-(Methylsulfonyl)propan-1-amine
CID 21949286
2-Methanesulfonylpropan-1-amine
CID 54446112
2-(Ethanesulfonyl)ethan-1-amine
CID 21217861
3-Methanesulfonylpropan-1-amine hydrochloride
CID 21949285
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
2-(Cyclopropanesulfonyl)ethan-1-amine hydrochloride
CID 121553434
2-(2-Aminoethanesulfonyl)-1,1,1-trifluoroethane hydrochloride
CID 122156693
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
4-Methanesulfonyl-butylamine
CID 191145
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
2-(2-Aminoethanesulfonyl)ethan-1-amine
CID 19026147

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobutylsulfonyl)ethanamine?
The IUPAC name of 2-(4-fluorobutylsulfonyl)ethanamine (CID 58684295) is 2-(4-fluorobutylsulfonyl)ethanamine.
What is the SMILES notation for 2-(4-fluorobutylsulfonyl)ethanamine?
The canonical SMILES for 2-(4-fluorobutylsulfonyl)ethanamine is NCCS(=O)(=O)CCCCF.
What is the InChIKey of 2-(4-fluorobutylsulfonyl)ethanamine?
The InChIKey is OPNDTHNFOORQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c7-3-1-2-5-11(9,10)6-4-8/h1-6,8H2.
What are the key properties of 2-(4-fluorobutylsulfonyl)ethanamine?
2-(4-fluorobutylsulfonyl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutylsulfonyl)ethanamine is sourced from PubChem (CID 58684295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).