N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine

C13H20FNO2S — CID 64639829

IUPACN-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO2S/c1-11(2)10-15-8-3-9-18(16,17)13-6-4-12(14)5-7-13/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyWHHWFJVPYDEALI-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.24
Rot. Bonds7

About N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine

N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine (PubChem CID 64639829) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
PubChem CID64639829
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO2S/c1-11(2)10-15-8-3-9-18(16,17)13-6-4-12(14)5-7-13/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyWHHWFJVPYDEALI-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-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

N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
N-[3-(4-fluorophenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64657509
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
5-(4-fluorophenyl)sulfonylpentane-1-sulfonic acid
CID 123168445
N-[2-(4-bromophenyl)sulfonylethyl]-4-methylpentan-1-amine
CID 102672211
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512341
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
3-[3-(4-fluorophenyl)sulfonylpropyl-methylamino]propanoic acid
CID 119911146
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine (CID 64639829) is N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine is CC(C)CNCCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine?
The InChIKey is WHHWFJVPYDEALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-11(2)10-15-8-3-9-18(16,17)13-6-4-12(14)5-7-13/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine?
N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64639829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).