1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine

C11H14FNO2S — CID 117360007

IUPAC1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine
SMILESCS(=O)(=O)c1cc(CC2(N)CC2)ccc1F
InChIInChI=1S/C11H14FNO2S/c1-16(14,15)10-6-8(2-3-9(10)12)7-11(13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyHEQVBMKJIGTYSZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.26
Rot. Bonds3

About 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine

1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117360007) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine
PubChem CID117360007
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine
SMILESCS(=O)(=O)c1cc(CC2(N)CC2)ccc1F
InChIInChI=1S/C11H14FNO2S/c1-16(14,15)10-6-8(2-3-9(10)12)7-11(13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyHEQVBMKJIGTYSZ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69120764
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CID 86222882
(4-Fluorophenyl)(3-methanesulfonylphenyl)methanamine
CID 24689038
(3,4-Difluorophenyl)(3-methanesulfonylphenyl)methanamine
CID 43197558
(E)-2-fluoro-4-(3-methylsulfonylphenyl)but-2-en-1-amine
CID 25013286
2-[3-(Methylsulfonyl)phenyl]ethylamine
CID 52911494
1-(3-Fluoro-4-methanesulfonylphenyl)ethan-1-amine
CID 54594954
1-(3-Trifluoromethanesulfonylphenyl)ethan-1-amine
CID 59506123
(2S)-1-fluoro-3-(4-methylsulfonylphenyl)propan-2-amine
CID 59667408
4-[3-(Fluoromethylsulfonyl)-5-methylphenyl]butan-1-amine
CID 66581745
(3-Fluoro-5-methylsulfonylphenyl)methanamine
CID 66877999

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine (CID 117360007) is 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine is CS(=O)(=O)c1cc(CC2(N)CC2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is HEQVBMKJIGTYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-16(14,15)10-6-8(2-3-9(10)12)7-11(13)4-5-11/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine?
1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117360007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).