4-azido-N-(ethylsulfamoyl)butan-1-amine

C6H15N5O2S — CID 106387131

IUPAC4-azido-N-(ethylsulfamoyl)butan-1-amine
SMILESCCNS(=O)(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C6H15N5O2S/c1-2-9-14(12,13)10-6-4-3-5-8-11-7/h9-10H,2-6H2,1H3
InChIKeyHUUATLBBHYNGKP-UHFFFAOYSA-N
MW221.29 g/mol
LogP0.52
Rot. Bonds8

About 4-azido-N-(ethylsulfamoyl)butan-1-amine

4-azido-N-(ethylsulfamoyl)butan-1-amine (PubChem CID 106387131) has the molecular formula C6H15N5O2S and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-azido-N-(ethylsulfamoyl)butan-1-amine.

Molecular Properties

Compound Name4-azido-N-(ethylsulfamoyl)butan-1-amine
PubChem CID106387131
Molecular FormulaC6H15N5O2S
Molecular Weight221.29 g/mol
Exact Mass221.09
IUPAC Name4-azido-N-(ethylsulfamoyl)butan-1-amine
SMILESCCNS(=O)(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C6H15N5O2S/c1-2-9-14(12,13)10-6-4-3-5-8-11-7/h9-10H,2-6H2,1H3
InChIKeyHUUATLBBHYNGKP-UHFFFAOYSA-N
XLogP0.52
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
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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Related Compounds

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CID 152547134
N-(4-azidobutyl)-4-propylbenzenesulfonamide
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5-(ethylsulfamoylamino)pentanenitrile
CID 115638449
8-azido-N-methyloctan-1-amine
CID 151243367
N-(3-azidopropyl)-2-ethoxyethanesulfonamide
CID 63246818
4-azido-N-butylbutan-1-amine;hydrochloride
CID 25112450
N-(2-azidoethylsulfamoyl)propan-2-amine
CID 114812616
azidoethane;methanesulfonic acid
CID 123670862
N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
CID 110627926
N-(4-azidobutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106387054
N-(4-azidobutyl)-2-methylpiperidine-1-sulfonamide
CID 106387026
1,14-diazidotetradecane
CID 146463967

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(ethylsulfamoyl)butan-1-amine?
The IUPAC name of 4-azido-N-(ethylsulfamoyl)butan-1-amine (CID 106387131) is 4-azido-N-(ethylsulfamoyl)butan-1-amine.
What is the SMILES notation for 4-azido-N-(ethylsulfamoyl)butan-1-amine?
The canonical SMILES for 4-azido-N-(ethylsulfamoyl)butan-1-amine is CCNS(=O)(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of 4-azido-N-(ethylsulfamoyl)butan-1-amine?
The InChIKey is HUUATLBBHYNGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O2S/c1-2-9-14(12,13)10-6-4-3-5-8-11-7/h9-10H,2-6H2,1H3.
What are the key properties of 4-azido-N-(ethylsulfamoyl)butan-1-amine?
4-azido-N-(ethylsulfamoyl)butan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(ethylsulfamoyl)butan-1-amine is sourced from PubChem (CID 106387131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).