N-(3-azidopropyl)-2-ethoxyethanesulfonamide

C7H16N4O3S — CID 63246818

IUPACN-(3-azidopropyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C7H16N4O3S/c1-2-14-6-7-15(12,13)10-5-3-4-9-11-8/h10H,2-7H2,1H3
InChIKeyPBFGBFJEWUINCL-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.64
Rot. Bonds9

About N-(3-azidopropyl)-2-ethoxyethanesulfonamide

N-(3-azidopropyl)-2-ethoxyethanesulfonamide (PubChem CID 63246818) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-ethoxyethanesulfonamide
PubChem CID63246818
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC NameN-(3-azidopropyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C7H16N4O3S/c1-2-14-6-7-15(12,13)10-5-3-4-9-11-8/h10H,2-7H2,1H3
InChIKeyPBFGBFJEWUINCL-UHFFFAOYSA-N
XLogP0.64
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
3-azido-N-propoxypropan-1-amine
CID 126625241
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
4-azido-N-(ethylsulfamoyl)butan-1-amine
CID 106387131
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(3-azidopropyl)-2-ethoxyethanesulfonamide (CID 63246818) is N-(3-azidopropyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-2-ethoxyethanesulfonamide?
The InChIKey is PBFGBFJEWUINCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-2-14-6-7-15(12,13)10-5-3-4-9-11-8/h10H,2-7H2,1H3.
What are the key properties of N-(3-azidopropyl)-2-ethoxyethanesulfonamide?
N-(3-azidopropyl)-2-ethoxyethanesulfonamide has a molecular weight of 236.30 g/mol, XLogP of 0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63246818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).