1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine

C10H12FNO2S — CID 84792737

IUPAC1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine
SMILESNC1(CS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C10H12FNO2S/c11-8-3-1-2-4-9(8)15(13,14)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyQBTRXQFWKVMSPM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.09
Rot. Bonds3

About 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine

1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine (PubChem CID 84792737) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine
PubChem CID84792737
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine
SMILESNC1(CS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C10H12FNO2S/c11-8-3-1-2-4-9(8)15(13,14)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyQBTRXQFWKVMSPM-UHFFFAOYSA-N
XLogP1.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methylsulfonyl]-2-fluorobenzene
CID 65007029
4-(bromomethyl)-4-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 65004413
3-fluoro-5-[(2-fluorophenyl)sulfonylmethyl]aniline
CID 112648307
1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone
CID 166512201
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile
CID 107119999
1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine
CID 117360007
1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene
CID 106272385
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
CID 164606955
2-bromo-5-[(2-fluorophenyl)sulfonylmethyl]thiophene
CID 47457030
2-fluorobenzenesulfonyl iodide
CID 23452806

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine (CID 84792737) is 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine is NC1(CS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine?
The InChIKey is QBTRXQFWKVMSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-8-3-1-2-4-9(8)15(13,14)7-10(12)5-6-10/h1-4H,5-7,12H2.
What are the key properties of 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine?
1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine has a molecular weight of 229.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)sulfonylmethyl]cyclopropan-1-amine is sourced from PubChem (CID 84792737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).