2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine

C11H16FNO2S — CID 79440305

IUPAC2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCC(CN)c1cccc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-16(14,15)6-5-10(8-13)9-3-2-4-11(12)7-9/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyYDADHCVQMAYIHD-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.30
Rot. Bonds5

About 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine

2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine (PubChem CID 79440305) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
PubChem CID79440305
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCC(CN)c1cccc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-16(14,15)6-5-10(8-13)9-3-2-4-11(12)7-9/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyYDADHCVQMAYIHD-UHFFFAOYSA-N
XLogP1.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
1-(3-fluorophenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 107524195
2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 79440058
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
(1S)-1-(3-fluorophenyl)-2-methylsulfonylethanamine
CID 94451384
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
1-(1-bromo-4-tert-butylsulfonylbutan-2-yl)-3-fluorobenzene
CID 106734667
2-amino-1-(3-fluorophenyl)-4-methylsulfonylbutan-1-one
CID 116552047
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine (CID 79440305) is 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine is CS(=O)(=O)CCC(CN)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine?
The InChIKey is YDADHCVQMAYIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-16(14,15)6-5-10(8-13)9-3-2-4-11(12)7-9/h2-4,7,10H,5-6,8,13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine?
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 79440305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).