4-(3-aminooxypropyl)-N-propylbenzenesulfonamide

C12H20N2O3S — CID 39371877

IUPAC4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCCON)cc1
InChIInChI=1S/C12H20N2O3S/c1-2-9-14-18(15,16)12-7-5-11(6-8-12)4-3-10-17-13/h5-8,14H,2-4,9-10,13H2,1H3
InChIKeySGJCCHZXDJCXLK-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.20
Rot. Bonds8

About 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide

4-(3-aminooxypropyl)-N-propylbenzenesulfonamide (PubChem CID 39371877) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
PubChem CID39371877
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCCON)cc1
InChIInChI=1S/C12H20N2O3S/c1-2-9-14-18(15,16)12-7-5-11(6-8-12)4-3-10-17-13/h5-8,14H,2-4,9-10,13H2,1H3
InChIKeySGJCCHZXDJCXLK-UHFFFAOYSA-N
XLogP1.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
N-[2-(2-bromoethoxy)ethyl]-4-propylbenzenesulfonamide
CID 113271420
4-butylbenzenesulfonohydrazide
CID 17255521
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
4-(2-chloropropyl)-N-propylbenzenesulfonamide
CID 55220389
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide (CID 39371877) is 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(CCCON)cc1.
What is the InChIKey of 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide?
The InChIKey is SGJCCHZXDJCXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-9-14-18(15,16)12-7-5-11(6-8-12)4-3-10-17-13/h5-8,14H,2-4,9-10,13H2,1H3.
What are the key properties of 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide?
4-(3-aminooxypropyl)-N-propylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminooxypropyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 39371877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).