N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine

C12H18FNO2S — CID 81369924

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-9(8-17(3,15)16)14-10(2)11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyMWJTWVDBBIVRHL-QVDQXJPCSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds5

About N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine

N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 81369924) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID81369924
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-9(8-17(3,15)16)14-10(2)11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyMWJTWVDBBIVRHL-QVDQXJPCSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629577
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
(1S)-1-(3-fluorophenyl)-2-methylsulfonylethanamine
CID 94451384
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine (CID 81369924) is N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)N[C@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is MWJTWVDBBIVRHL-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-9(8-17(3,15)16)14-10(2)11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine?
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 81369924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).