4-azido-N-methylbutane-1-sulfonamide

C5H12N4O2S — CID 71699855

IUPAC4-azido-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C5H12N4O2S/c1-7-12(10,11)5-3-2-4-8-9-6/h7H,2-5H2,1H3
InChIKeyNRIXHUULRWLBAI-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.63
Rot. Bonds6

About 4-azido-N-methylbutane-1-sulfonamide

4-azido-N-methylbutane-1-sulfonamide (PubChem CID 71699855) has the molecular formula C5H12N4O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-azido-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-azido-N-methylbutane-1-sulfonamide
PubChem CID71699855
Molecular FormulaC5H12N4O2S
Molecular Weight192.24 g/mol
Exact Mass192.07
IUPAC Name4-azido-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C5H12N4O2S/c1-7-12(10,11)5-3-2-4-8-9-6/h7H,2-5H2,1H3
InChIKeyNRIXHUULRWLBAI-UHFFFAOYSA-N
XLogP0.63
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-azido-N-methylbutane-1-sulfonamide?
The IUPAC name of 4-azido-N-methylbutane-1-sulfonamide (CID 71699855) is 4-azido-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4-azido-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4-azido-N-methylbutane-1-sulfonamide is CNS(=O)(=O)CCCCN=[N+]=[N-].
What is the InChIKey of 4-azido-N-methylbutane-1-sulfonamide?
The InChIKey is NRIXHUULRWLBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2S/c1-7-12(10,11)5-3-2-4-8-9-6/h7H,2-5H2,1H3.
What are the key properties of 4-azido-N-methylbutane-1-sulfonamide?
4-azido-N-methylbutane-1-sulfonamide has a molecular weight of 192.24 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 71699855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).