N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide

C14H24N2O2S — CID 61071536

IUPACN-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CC)CCCN)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-6-13-7-9-14(10-8-13)19(17,18)16(4-2)12-5-11-15/h7-10H,3-6,11-12,15H2,1-2H3
InChIKeyYACMUNVYPFYUBI-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.00
Rot. Bonds8

About N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide

N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide (PubChem CID 61071536) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
PubChem CID61071536
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CC)CCCN)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-6-13-7-9-14(10-8-13)19(17,18)16(4-2)12-5-11-15/h7-10H,3-6,11-12,15H2,1-2H3
InChIKeyYACMUNVYPFYUBI-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
CID 162429714
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43136904
[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55314582
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide (CID 61071536) is N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CC)CCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide?
The InChIKey is YACMUNVYPFYUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-6-13-7-9-14(10-8-13)19(17,18)16(4-2)12-5-11-15/h7-10H,3-6,11-12,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide?
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide is sourced from PubChem (CID 61071536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).