1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine

C13H18FNO2S — CID 75443076

IUPAC1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine
SMILESCS(=O)(=O)CCCNC1(c2cccc(F)c2)CC1
InChIInChI=1S/C13H18FNO2S/c1-18(16,17)9-3-8-15-13(6-7-13)11-4-2-5-12(14)10-11/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyJRXKZHWKJONLAC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.84
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine

1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine (PubChem CID 75443076) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine
PubChem CID75443076
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine
SMILESCS(=O)(=O)CCCNC1(c2cccc(F)c2)CC1
InChIInChI=1S/C13H18FNO2S/c1-18(16,17)9-3-8-15-13(6-7-13)11-4-2-5-12(14)10-11/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyJRXKZHWKJONLAC-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-Methylphenyl)methylazaniumyl]ethanesulfonate
CID 72200946
1-(3-methylphenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
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(R)-N-(2-((3-Fluorobenzyl)sulfonyl)ethyl)butan-2-amine
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N-benzyltetrahydrothiophen-3-amine 1,1-dioxide
CID 2896541
2-(benzylamino)-N-octylethanesulfonamide
CID 45479974
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CID 73053478
3-(Benzylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 24251361
2-[(3-Fluorobenzyl)amino]ethanesulfonic Acid
CID 66553104
2-[(4-Fluoro-3-Methylbenzyl)amino]ethanesulfonic Acid
CID 66553110
2-(benzylamino)-N-butylethanesulfonamide
CID 44602030
N-[(4-tert-butylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086178
2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide
CID 56783772

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine (CID 75443076) is 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine is CS(=O)(=O)CCCNC1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine?
The InChIKey is JRXKZHWKJONLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-18(16,17)9-3-8-15-13(6-7-13)11-4-2-5-12(14)10-11/h2,4-5,10,15H,3,6-9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine?
1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 75443076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).