3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine

C11H16FNO2S — CID 117036289

IUPAC3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine
SMILESCC(C)(CCN)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-11(2,7-8-13)16(14,15)10-5-3-9(12)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyYCPVJQLIFXPTSR-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.73
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine

3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine (PubChem CID 117036289) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine
PubChem CID117036289
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine
SMILESCC(C)(CCN)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-11(2,7-8-13)16(14,15)10-5-3-9(12)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyYCPVJQLIFXPTSR-UHFFFAOYSA-N
XLogP1.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-5-methylphenyl)sulfonyl-3-methylbutan-1-amine
CID 90128249
1-tert-butylsulfonyl-4-[3-(4-fluorophenyl)sulfonyl-3-methylbutyl]benzene
CID 167146323
3-(4-fluorophenyl)sulfonyl-3-methylbutan-2-one
CID 115045256
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
CID 115045053
[3-(aminomethoxy)-3-methylbutyl] 4-fluorobenzenesulfonate
CID 154937629
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
1-(2-tert-butylsulfonylethylsulfonyl)-4-fluorobenzene
CID 103705360
3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine
CID 115040676
N-(2-bromo-4,4-dimethylpentyl)-4-fluorobenzenesulfonamide
CID 107158082

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine (CID 117036289) is 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine is CC(C)(CCN)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine?
The InChIKey is YCPVJQLIFXPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-11(2,7-8-13)16(14,15)10-5-3-9(12)4-6-10/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine?
3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-3-methylbutan-1-amine is sourced from PubChem (CID 117036289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).