3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide

C14H24N2O2S — CID 54913678

IUPAC3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
SMILESCC(C)CCCNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)6-5-9-16-12(3)13-7-4-8-14(10-13)19(15,17)18/h4,7-8,10-12,16H,5-6,9H2,1-3H3,(H2,15,17,18)
InChIKeyZJRSYXLOHLMAFJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.42
Rot. Bonds7

About 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide

3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide (PubChem CID 54913678) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
PubChem CID54913678
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
SMILESCC(C)CCCNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)6-5-9-16-12(3)13-7-4-8-14(10-13)19(15,17)18/h4,7-8,10-12,16H,5-6,9H2,1-3H3,(H2,15,17,18)
InChIKeyZJRSYXLOHLMAFJ-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide (CID 54913678) is 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide is CC(C)CCCNC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide?
The InChIKey is ZJRSYXLOHLMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)6-5-9-16-12(3)13-7-4-8-14(10-13)19(15,17)18/h4,7-8,10-12,16H,5-6,9H2,1-3H3,(H2,15,17,18).
What are the key properties of 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide?
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 54913678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).