5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine

C12H26N4O4S — CID 163659064

IUPAC5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine
SMILES[N-]=[N+]=NCCOCCOCCCS(=O)(=O)CCCCCN
InChIInChI=1S/C12H26N4O4S/c13-5-2-1-3-11-21(17,18)12-4-7-19-9-10-20-8-6-15-16-14/h1-13H2
InChIKeyISUKGOKOMNOLCZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.26
Rot. Bonds15

About 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine

5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine (PubChem CID 163659064) has the molecular formula C12H26N4O4S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine
PubChem CID163659064
Molecular FormulaC12H26N4O4S
Molecular Weight322.43 g/mol
Exact Mass322.17
IUPAC Name5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine
SMILES[N-]=[N+]=NCCOCCOCCCS(=O)(=O)CCCCCN
InChIInChI=1S/C12H26N4O4S/c13-5-2-1-3-11-21(17,18)12-4-7-19-9-10-20-8-6-15-16-14/h1-13H2
InChIKeyISUKGOKOMNOLCZ-UHFFFAOYSA-N
XLogP1.26
TPSA127.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-azidobutoxy)butan-1-amine
CID 151331524
1,5-bis(2-azidoethoxy)pentane
CID 130260836
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-azido-3-(2-azidoethoxy)propane
CID 161084189
9-azidononan-1-amine
CID 122424851
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008
2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate
CID 11265269
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine
CID 163523184
3-(aminomethyl)-3-[2-(2-azidoethoxy)ethoxymethyl]pentane-1,5-diamine;trihydrochloride
CID 141470746
1-azido-3-(2-methoxyethylsulfonyl)propane
CID 61396911

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine?
The IUPAC name of 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine (CID 163659064) is 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine.
What is the SMILES notation for 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine?
The canonical SMILES for 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine is [N-]=[N+]=NCCOCCOCCCS(=O)(=O)CCCCCN.
What is the InChIKey of 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine?
The InChIKey is ISUKGOKOMNOLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O4S/c13-5-2-1-3-11-21(17,18)12-4-7-19-9-10-20-8-6-15-16-14/h1-13H2.
What are the key properties of 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine?
5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine has a molecular weight of 322.43 g/mol, XLogP of 1.26, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine is sourced from PubChem (CID 163659064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).