4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide

C14H24N2O3S — CID 106050722

IUPAC4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O3S/c1-12(11-19-2)10-16-20(17,18)14-7-5-13(6-8-14)4-3-9-15/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyJBRGIJXZAWCNAR-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.14
Rot. Bonds9

About 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide

4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 106050722) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID106050722
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O3S/c1-12(11-19-2)10-16-20(17,18)14-7-5-13(6-8-14)4-3-9-15/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyJBRGIJXZAWCNAR-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 106017203
4-cyano-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429866
4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079938
3-(aminomethyl)-4-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050652
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082197
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
4-fluoro-N-(3-methoxy-2-methylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106050778
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373
4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080854
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide (CID 106050722) is 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide is COCC(C)CNS(=O)(=O)c1ccc(CCCN)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is JBRGIJXZAWCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12(11-19-2)10-16-20(17,18)14-7-5-13(6-8-14)4-3-9-15/h5-8,12,16H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 106050722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).