5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine

C14H22FNO2S — CID 114834078

IUPAC5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-3-19(17,18)9-5-8-14(2,16)11-12-6-4-7-13(15)10-12/h4,6-7,10H,3,5,8-9,11,16H2,1-2H3
InChIKeyNRLDVAIDPBLLDA-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.30
Rot. Bonds7

About 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine

5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 114834078) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
PubChem CID114834078
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC Name5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-3-19(17,18)9-5-8-14(2,16)11-12-6-4-7-13(15)10-12/h4,6-7,10H,3,5,8-9,11,16H2,1-2H3
InChIKeyNRLDVAIDPBLLDA-UHFFFAOYSA-N
XLogP2.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine
CID 65098048
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114833945
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(2,3-dihydro-1H-inden-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834039
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine (CID 114834078) is 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine is CCS(=O)(=O)CCCC(C)(N)Cc1cccc(F)c1.
What is the InChIKey of 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is NRLDVAIDPBLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-3-19(17,18)9-5-8-14(2,16)11-12-6-4-7-13(15)10-12/h4,6-7,10H,3,5,8-9,11,16H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine?
5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 114834078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).