2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine

C10H12FNO2S — CID 102570496

IUPAC2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine
SMILESCS(=O)(=O)C1C(N)C1c1cccc(F)c1
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)10-8(9(10)12)6-3-2-4-7(11)5-6/h2-5,8-10H,12H2,1H3
InChIKeyUSSDGHNPYGOHCO-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.66
Rot. Bonds2

About 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine

2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine (PubChem CID 102570496) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine
PubChem CID102570496
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine
SMILESCS(=O)(=O)C1C(N)C1c1cccc(F)c1
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)10-8(9(10)12)6-3-2-4-7(11)5-6/h2-5,8-10H,12H2,1H3
InChIKeyUSSDGHNPYGOHCO-UHFFFAOYSA-N
XLogP0.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858605
(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858604
2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile
CID 102570626
(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124744999
(1S,2R,3R)-1-amino-2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carboxylic acid
CID 124857705
3-(3-fluorophenyl)-2,4-dimethylcyclobutan-1-ol
CID 114873260
3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine
CID 117194161
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 102570935
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 102570368
[(1S,2S,3R)-1-(aminomethyl)-2-(3-fluorophenyl)-3-methylsulfonylcyclopropyl]methanol
CID 124858186
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropane-1-carbothioamide
CID 99996969
3-amino-4-(3-fluorophenyl)-1-methylazetidin-2-one
CID 102551147

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine (CID 102570496) is 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine is CS(=O)(=O)C1C(N)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine?
The InChIKey is USSDGHNPYGOHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-15(13,14)10-8(9(10)12)6-3-2-4-7(11)5-6/h2-5,8-10H,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine?
2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine has a molecular weight of 229.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine is sourced from PubChem (CID 102570496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).