N,N-diethylethanamine;methyl azidosulfonylformate

C8H18N4O4S — CID 175431392

IUPACN,N-diethylethanamine;methyl azidosulfonylformate
SMILESCCN(CC)CC.COC(=O)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C6H15N.C2H3N3O4S/c1-4-7(5-2)6-3;1-9-2(6)10(7,8)5-4-3/h4-6H2,1-3H3;1H3
InChIKeyMHPUNVJRWQXJQU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.74
Rot. Bonds4

About N,N-diethylethanamine;methyl azidosulfonylformate

N,N-diethylethanamine;methyl azidosulfonylformate (PubChem CID 175431392) has the molecular formula C8H18N4O4S and a molecular weight of 266.32 g/mol. Its IUPAC name is N,N-diethylethanamine;methyl azidosulfonylformate.

Molecular Properties

Compound NameN,N-diethylethanamine;methyl azidosulfonylformate
PubChem CID175431392
Molecular FormulaC8H18N4O4S
Molecular Weight266.32 g/mol
Exact Mass266.10
IUPAC NameN,N-diethylethanamine;methyl azidosulfonylformate
SMILESCCN(CC)CC.COC(=O)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C6H15N.C2H3N3O4S/c1-4-7(5-2)6-3;1-9-2(6)10(7,8)5-4-3/h4-6H2,1-3H3;1H3
InChIKeyMHPUNVJRWQXJQU-UHFFFAOYSA-N
XLogP1.74
TPSA112.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
diacetyloxyboranyl acetate;N,N-diethylethanamine
CID 87465705
ethoxyethane;sulfuryl diazide
CID 174776903
N,N-diethylethanamine;methyl N-sulfonylcarbamate
CID 12688775
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
methyl 2-azidosulfonyl-2,2-difluoroacetate
CID 12916791
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
gallium;N,N-diethylethanamine;triazide
CID 11808618
sodium;N,N-diethylethanamine;hydride;sulfuric acid
CID 175161675
methyl N-ethyl-N-methoxycarbamate
CID 142794399
azidoethane;methanesulfonic acid
CID 123670862

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;methyl azidosulfonylformate?
The IUPAC name of N,N-diethylethanamine;methyl azidosulfonylformate (CID 175431392) is N,N-diethylethanamine;methyl azidosulfonylformate.
What is the SMILES notation for N,N-diethylethanamine;methyl azidosulfonylformate?
The canonical SMILES for N,N-diethylethanamine;methyl azidosulfonylformate is CCN(CC)CC.COC(=O)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of N,N-diethylethanamine;methyl azidosulfonylformate?
The InChIKey is MHPUNVJRWQXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H3N3O4S/c1-4-7(5-2)6-3;1-9-2(6)10(7,8)5-4-3/h4-6H2,1-3H3;1H3.
What are the key properties of N,N-diethylethanamine;methyl azidosulfonylformate?
N,N-diethylethanamine;methyl azidosulfonylformate has a molecular weight of 266.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methyl azidosulfonylformate is sourced from PubChem (CID 175431392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).