2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine

C15H23FN2O2S — CID 115918066

IUPAC2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(F)(CN)c2ccccc2)C1
InChIInChI=1S/C15H23FN2O2S/c1-21(19,20)18-9-5-6-13(11-18)10-15(16,12-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12,17H2,1H3
InChIKeyBJEDPIGSIWRCQM-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.87
Rot. Bonds5

About 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine

2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine (PubChem CID 115918066) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine
PubChem CID115918066
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(F)(CN)c2ccccc2)C1
InChIInChI=1S/C15H23FN2O2S/c1-21(19,20)18-9-5-6-13(11-18)10-15(16,12-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12,17H2,1H3
InChIKeyBJEDPIGSIWRCQM-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
4-(1-methylsulfonylpiperidin-3-yl)-2-phenylbutan-1-amine
CID 81011290
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
ethyl 2-(aminomethyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butanoate
CID 106487613
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105
2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole
CID 131962697
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 42939129
2-(3-methylphenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 75443056

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine?
The IUPAC name of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine (CID 115918066) is 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine.
What is the SMILES notation for 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine?
The canonical SMILES for 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine is CS(=O)(=O)N1CCCC(CC(F)(CN)c2ccccc2)C1.
What is the InChIKey of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine?
The InChIKey is BJEDPIGSIWRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-21(19,20)18-9-5-6-13(11-18)10-15(16,12-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12,17H2,1H3.
What are the key properties of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine?
2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine has a molecular weight of 314.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine is sourced from PubChem (CID 115918066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).