1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine

C10H12FNO2S — CID 84792733

IUPAC1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine
SMILESCS(=O)(=O)c1ccc(C2(N)CC2)cc1F
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)9-3-2-7(6-8(9)11)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKeyXWUMUZMJERSUHX-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.18
Rot. Bonds2

About 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine

1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine (PubChem CID 84792733) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine
PubChem CID84792733
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine
SMILESCS(=O)(=O)c1ccc(C2(N)CC2)cc1F
InChIInChI=1S/C10H12FNO2S/c1-15(13,14)9-3-2-7(6-8(9)11)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKeyXWUMUZMJERSUHX-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylsulfonylbenzylamine
CID 57421
1-(4-(Methylsulfonyl)phenyl)ethanamine
CID 2736900
4-Methanesulfonylbenzene-1-carbothioamide
CID 3003267
1-(4-Methanesulfonylphenyl)ethan-1-amine hydrochloride
CID 16264412
(1S)-1-(4-methanesulfonylphenyl)ethan-1-amine hydrochloride
CID 45792110
2-(3-Methanesulfonylphenyl)propan-2-amine
CID 69120764
2-(4-Methanesulfonylphenyl)propan-2-amine
CID 71048734
(1R)-1-(4-methanesulfonylphenyl)ethan-1-amine hydrochloride
CID 71757377
1-[4-(Ethanesulfonyl)phenyl]ethan-1-amine
CID 3909378
(R)-N-[(1S,2R)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 135054891
(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 135054892
(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-fluorophenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 135055388

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine (CID 84792733) is 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine is CS(=O)(=O)c1ccc(C2(N)CC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine?
The InChIKey is XWUMUZMJERSUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-15(13,14)9-3-2-7(6-8(9)11)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine?
1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine has a molecular weight of 229.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84792733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).