N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide

C14H24N2O3S — CID 106308170

IUPACN-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCOCCN)cc1
InChIInChI=1S/C14H24N2O3S/c1-2-4-13-5-7-14(8-6-13)20(17,18)16-10-3-11-19-12-9-15/h5-8,16H,2-4,9-12,15H2,1H3
InChIKeyHUTYABJCBGVUPB-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.28
Rot. Bonds10

About N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide

N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide (PubChem CID 106308170) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
PubChem CID106308170
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCOCCN)cc1
InChIInChI=1S/C14H24N2O3S/c1-2-4-13-5-7-14(8-6-13)20(17,18)16-10-3-11-19-12-9-15/h5-8,16H,2-4,9-12,15H2,1H3
InChIKeyHUTYABJCBGVUPB-UHFFFAOYSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-[2-(2-bromoethoxy)ethyl]-4-propylbenzenesulfonamide
CID 113271420
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide
CID 139969449
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
CID 39371877
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-(bromomethyl)-N-(2-butoxyethyl)benzenesulfonamide
CID 65480429
N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide
CID 114171596
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide (CID 106308170) is N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCCOCCN)cc1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide?
The InChIKey is HUTYABJCBGVUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-2-4-13-5-7-14(8-6-13)20(17,18)16-10-3-11-19-12-9-15/h5-8,16H,2-4,9-12,15H2,1H3.
What are the key properties of N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide?
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 106308170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).