[3-(3-fluoropropylsulfonyl)phenyl]methanamine

C10H14FNO2S — CID 84694590

IUPAC[3-(3-fluoropropylsulfonyl)phenyl]methanamine
SMILESNCc1cccc(S(=O)(=O)CCCF)c1
InChIInChI=1S/C10H14FNO2S/c11-5-2-6-15(13,14)10-4-1-3-9(7-10)8-12/h1,3-4,7H,2,5-6,8,12H2
InChIKeyWQFXVEDDAGDTKB-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.28
Rot. Bonds5

About [3-(3-fluoropropylsulfonyl)phenyl]methanamine

[3-(3-fluoropropylsulfonyl)phenyl]methanamine (PubChem CID 84694590) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is [3-(3-fluoropropylsulfonyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoropropylsulfonyl)phenyl]methanamine
PubChem CID84694590
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name[3-(3-fluoropropylsulfonyl)phenyl]methanamine
SMILESNCc1cccc(S(=O)(=O)CCCF)c1
InChIInChI=1S/C10H14FNO2S/c11-5-2-6-15(13,14)10-4-1-3-9(7-10)8-12/h1,3-4,7H,2,5-6,8,12H2
InChIKeyWQFXVEDDAGDTKB-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
[4-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694587
(3-propylsulfonylphenyl)methanamine
CID 83926717
1-bromo-3-(3-fluoropropylsulfonyl)benzene
CID 84715101
[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
CID 84706979
[3-[2-(3-methylbutan-2-ylsulfinyl)ethylsulfonyl]phenyl]methanamine
CID 107767054
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
CID 102605751
[3-[2-(2-methylbutylsulfanyl)ethylsulfonyl]phenyl]methanamine
CID 107752285
2-[3-(2-chloroethylsulfonyl)phenyl]ethanamine
CID 19105498
3-(3-chlorophenyl)sulfonylpropan-1-amine
CID 28753143
[3-(4-methylphenyl)sulfonylphenyl]methanamine
CID 117036589
[3-[2-(1,3-oxazol-2-ylsulfanyl)ethylsulfonyl]phenyl]methanamine
CID 106923783

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoropropylsulfonyl)phenyl]methanamine?
The IUPAC name of [3-(3-fluoropropylsulfonyl)phenyl]methanamine (CID 84694590) is [3-(3-fluoropropylsulfonyl)phenyl]methanamine.
What is the SMILES notation for [3-(3-fluoropropylsulfonyl)phenyl]methanamine?
The canonical SMILES for [3-(3-fluoropropylsulfonyl)phenyl]methanamine is NCc1cccc(S(=O)(=O)CCCF)c1.
What is the InChIKey of [3-(3-fluoropropylsulfonyl)phenyl]methanamine?
The InChIKey is WQFXVEDDAGDTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c11-5-2-6-15(13,14)10-4-1-3-9(7-10)8-12/h1,3-4,7H,2,5-6,8,12H2.
What are the key properties of [3-(3-fluoropropylsulfonyl)phenyl]methanamine?
[3-(3-fluoropropylsulfonyl)phenyl]methanamine has a molecular weight of 231.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoropropylsulfonyl)phenyl]methanamine is sourced from PubChem (CID 84694590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).