N-azidopropane-1-sulfonamide

C3H8N4O2S — CID 150447207

IUPACN-azidopropane-1-sulfonamide
SMILESCCCS(=O)(=O)NN=[N+]=[N-]
InChIInChI=1S/C3H8N4O2S/c1-2-3-10(8,9)7-6-5-4/h7H,2-3H2,1H3
InChIKeyHNABUKUQZJURNP-UHFFFAOYSA-N
MW164.19 g/mol
LogP0.54
Rot. Bonds4

About N-azidopropane-1-sulfonamide

N-azidopropane-1-sulfonamide (PubChem CID 150447207) has the molecular formula C3H8N4O2S and a molecular weight of 164.19 g/mol. Its IUPAC name is N-azidopropane-1-sulfonamide.

Molecular Properties

Compound NameN-azidopropane-1-sulfonamide
PubChem CID150447207
Molecular FormulaC3H8N4O2S
Molecular Weight164.19 g/mol
Exact Mass164.04
IUPAC NameN-azidopropane-1-sulfonamide
SMILESCCCS(=O)(=O)NN=[N+]=[N-]
InChIInChI=1S/C3H8N4O2S/c1-2-3-10(8,9)7-6-5-4/h7H,2-3H2,1H3
InChIKeyHNABUKUQZJURNP-UHFFFAOYSA-N
XLogP0.54
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azidoethane;methanesulfonic acid
CID 123670862
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
N-diazononane-1-sulfonamide
CID 21453350
1-propylsulfonylpropane
CID 11709
1-azido-2-propylsulfonylbenzene
CID 80583557
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
2-(2-diazohydrazinyl)hexanoic acid
CID 89287539
N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
CID 82715927
N-(3-azidopropyl)-2-ethoxyethanesulfonamide
CID 63246818
lithium propane-1-sulfonate
CID 131984534
N-azidomethanamine;silane
CID 161044564
N-octadecylpropane-1-sulfonamide
CID 88827291

Frequently Asked Questions

What is the IUPAC name of N-azidopropane-1-sulfonamide?
The IUPAC name of N-azidopropane-1-sulfonamide (CID 150447207) is N-azidopropane-1-sulfonamide.
What is the SMILES notation for N-azidopropane-1-sulfonamide?
The canonical SMILES for N-azidopropane-1-sulfonamide is CCCS(=O)(=O)NN=[N+]=[N-].
What is the InChIKey of N-azidopropane-1-sulfonamide?
The InChIKey is HNABUKUQZJURNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O2S/c1-2-3-10(8,9)7-6-5-4/h7H,2-3H2,1H3.
What are the key properties of N-azidopropane-1-sulfonamide?
N-azidopropane-1-sulfonamide has a molecular weight of 164.19 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-azidopropane-1-sulfonamide is sourced from PubChem (CID 150447207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).