4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide

C14H24N2O2S2 — CID 106080854

IUPAC4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)(C)CNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O2S2/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
InChIKeyQZBNPJXNBWFYFT-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.00
Rot. Bonds8

About 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide

4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 106080854) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
PubChem CID106080854
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)(C)CNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O2S2/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
InChIKeyQZBNPJXNBWFYFT-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079938
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082197
4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 106017203
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050722
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
2-fluoro-5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 104654829
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide (CID 106080854) is 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide is CSC(C)(C)CNS(=O)(=O)c1ccc(CCCN)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is QZBNPJXNBWFYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/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-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.00, 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-methyl-2-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 106080854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).