N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide

C13H21FN2O2S — CID 63688577

IUPACN-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N(CCCN)c1ccccc1F
InChIInChI=1S/C13H21FN2O2S/c1-13(2,3)19(17,18)16(10-6-9-15)12-8-5-4-7-11(12)14/h4-5,7-8H,6,9-10,15H2,1-3H3
InChIKeyKPGZAQLRRPAOML-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.11
Rot. Bonds5

About N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide

N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide (PubChem CID 63688577) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide
PubChem CID63688577
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N(CCCN)c1ccccc1F
InChIInChI=1S/C13H21FN2O2S/c1-13(2,3)19(17,18)16(10-6-9-15)12-8-5-4-7-11(12)14/h4-5,7-8H,6,9-10,15H2,1-3H3
InChIKeyKPGZAQLRRPAOML-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-aminopropyl(2-methoxyethylsulfamoyl)amino]-2-fluorobenzene
CID 114813776
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
CID 43164865
[3-aminopropyl(sulfamoyl)amino]benzene
CID 115580045
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113069714
N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
CID 43135974
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
CID 55009877

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide (CID 63688577) is N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N(CCCN)c1ccccc1F.
What is the InChIKey of N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is KPGZAQLRRPAOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-13(2,3)19(17,18)16(10-6-9-15)12-8-5-4-7-11(12)14/h4-5,7-8H,6,9-10,15H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide?
N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-fluorophenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63688577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).