1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine

C11H14FNO2S — CID 115045002

IUPAC1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine
SMILESCC(N)C1(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C11H14FNO2S/c1-8(13)11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,13H2,1H3
InChIKeyRNNXOVRAWRUMIE-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.48
Rot. Bonds3

About 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine

1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine (PubChem CID 115045002) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine
PubChem CID115045002
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine
SMILESCC(N)C1(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C11H14FNO2S/c1-8(13)11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,13H2,1H3
InChIKeyRNNXOVRAWRUMIE-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile
CID 116855146
1-fluoro-3-pentan-2-ylsulfonylbenzene
CID 107888330
1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene
CID 122424196
ethyl 3-fluorobenzenesulfonate
CID 15066297
1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61123263
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
1-[(3-fluorophenyl)sulfonylamino]-4-methylcyclohexane-1-carbothioamide
CID 61122276
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 18170875
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine (CID 115045002) is 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine is CC(N)C1(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine?
The InChIKey is RNNXOVRAWRUMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8(13)11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine?
1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine has a molecular weight of 243.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine is sourced from PubChem (CID 115045002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).