1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine

C12H18FNO2S — CID 64645946

IUPAC1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1ccccc1F)NC
InChIInChI=1S/C12H18FNO2S/c1-3-6-10(14-2)9-17(15,16)12-8-5-4-7-11(12)13/h4-5,7-8,10,14H,3,6,9H2,1-2H3
InChIKeyXFFBKEIRCUQQEH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.99
Rot. Bonds6

About 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine

1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine (PubChem CID 64645946) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
PubChem CID64645946
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1ccccc1F)NC
InChIInChI=1S/C12H18FNO2S/c1-3-6-10(14-2)9-17(15,16)12-8-5-4-7-11(12)13/h4-5,7-8,10,14H,3,6,9H2,1-2H3
InChIKeyXFFBKEIRCUQQEH-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)sulfonyl-N-methylpentan-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

4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64897786
1-cyclopentyl-2-(2-fluorophenyl)sulfonyl-N-methylethanamine
CID 104753879
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63199979
N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
CID 106584775
1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64675474
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
N-[(2-fluorophenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;propane
CID 142042743
4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64703577
N-butyl-2-(2-fluorophenyl)sulfonylacetamide
CID 47148223

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine (CID 64645946) is 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine is CCCC(CS(=O)(=O)c1ccccc1F)NC.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
The InChIKey is XFFBKEIRCUQQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-6-10(14-2)9-17(15,16)12-8-5-4-7-11(12)13/h4-5,7-8,10,14H,3,6,9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine is sourced from PubChem (CID 64645946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).