4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide

C14H24N2O2S2 — CID 106082197

IUPAC4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O2S2/c1-12(19-2)9-11-16-20(17,18)14-7-5-13(6-8-14)4-3-10-15/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyFWHFRBPRHSEXLD-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.00
Rot. Bonds9

About 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide

4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide (PubChem CID 106082197) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
PubChem CID106082197
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H24N2O2S2/c1-12(19-2)9-11-16-20(17,18)14-7-5-13(6-8-14)4-3-10-15/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyFWHFRBPRHSEXLD-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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-aminopropoxy)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082134
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-acetyl-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 115604223
3-(aminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082233
4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 106017203
4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080854
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 113494086
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050722
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide (CID 106082197) is 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide is CSC(C)CCNS(=O)(=O)c1ccc(CCCN)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide?
The InChIKey is FWHFRBPRHSEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-12(19-2)9-11-16-20(17,18)14-7-5-13(6-8-14)4-3-10-15/h5-8,12,16H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.00, 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-methylsulfanylbutyl)benzenesulfonamide is sourced from PubChem (CID 106082197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).