2-(2-fluoro-2-methylpropyl)sulfonylethanamine

C6H14FNO2S — CID 84659192

IUPAC2-(2-fluoro-2-methylpropyl)sulfonylethanamine
SMILESCC(C)(F)CS(=O)(=O)CCN
InChIInChI=1S/C6H14FNO2S/c1-6(2,7)5-11(9,10)4-3-8/h3-5,8H2,1-2H3
InChIKeyZEJCJVRSIZPQIS-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds4

About 2-(2-fluoro-2-methylpropyl)sulfonylethanamine

2-(2-fluoro-2-methylpropyl)sulfonylethanamine (PubChem CID 84659192) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylpropyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-2-methylpropyl)sulfonylethanamine
PubChem CID84659192
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name2-(2-fluoro-2-methylpropyl)sulfonylethanamine
SMILESCC(C)(F)CS(=O)(=O)CCN
InChIInChI=1S/C6H14FNO2S/c1-6(2,7)5-11(9,10)4-3-8/h3-5,8H2,1-2H3
InChIKeyZEJCJVRSIZPQIS-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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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-(2-Aminoethanesulfonyl)-2-methylpropane hydrochloride
CID 54593087
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
4-Methanesulfonyl-butylamine
CID 191145
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
1-(Ethanesulfonyl)propan-2-amine hydrochloride
CID 54593157
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
2-(2-Aminoethanesulfonyl)-2-methylpropane
CID 43444511

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylpropyl)sulfonylethanamine?
The IUPAC name of 2-(2-fluoro-2-methylpropyl)sulfonylethanamine (CID 84659192) is 2-(2-fluoro-2-methylpropyl)sulfonylethanamine.
What is the SMILES notation for 2-(2-fluoro-2-methylpropyl)sulfonylethanamine?
The canonical SMILES for 2-(2-fluoro-2-methylpropyl)sulfonylethanamine is CC(C)(F)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-fluoro-2-methylpropyl)sulfonylethanamine?
The InChIKey is ZEJCJVRSIZPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-6(2,7)5-11(9,10)4-3-8/h3-5,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-2-methylpropyl)sulfonylethanamine?
2-(2-fluoro-2-methylpropyl)sulfonylethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methylpropyl)sulfonylethanamine is sourced from PubChem (CID 84659192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).