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

C14H24N2O3S — CID 106079938

IUPAC4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O3S/c1-14(2,19-3)11-16-20(17,18)13-8-6-12(7-9-13)5-4-10-15/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyJNMSHTJHTGPFKF-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.28
Rot. Bonds8

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

4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 106079938) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID106079938
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O3S/c1-14(2,19-3)11-16-20(17,18)13-8-6-12(7-9-13)5-4-10-15/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyJNMSHTJHTGPFKF-UHFFFAOYSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080854
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050722
4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
CID 117115635
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 106017203
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 104760016
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082197

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 106079938) is 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1ccc(CCCN)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is JNMSHTJHTGPFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(2,19-3)11-16-20(17,18)13-8-6-12(7-9-13)5-4-10-15/h6-9,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 106079938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).