5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine

C15H24FNO2S — CID 65097069

IUPAC5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO2S/c1-3-20(18,19)9-5-7-14(12-17-2)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyUUCZYLHZGJKMRA-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.42
Rot. Bonds9

About 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine

5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine (PubChem CID 65097069) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
PubChem CID65097069
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO2S/c1-3-20(18,19)9-5-7-14(12-17-2)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyUUCZYLHZGJKMRA-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 106729730
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195920
3-[(3-fluorophenyl)methyl]-4-(methylamino)butanoic acid
CID 155217766
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097173
2-[(3-fluorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734373
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315
2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531376

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine (CID 65097069) is 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine is CCS(=O)(=O)CCCC(CNC)Cc1cccc(F)c1.
What is the InChIKey of 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine?
The InChIKey is UUCZYLHZGJKMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-3-20(18,19)9-5-7-14(12-17-2)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine?
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 65097069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).