1-[azidosulfonyl(methyl)amino]-3-methoxypropane

C5H12N4O3S — CID 87527911

IUPAC1-[azidosulfonyl(methyl)amino]-3-methoxypropane
SMILESCOCCCN(C)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C5H12N4O3S/c1-9(4-3-5-12-2)13(10,11)8-7-6/h3-5H2,1-2H3
InChIKeyAQRXHQKSPUMWNB-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.51
Rot. Bonds6

About 1-[azidosulfonyl(methyl)amino]-3-methoxypropane

1-[azidosulfonyl(methyl)amino]-3-methoxypropane (PubChem CID 87527911) has the molecular formula C5H12N4O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[azidosulfonyl(methyl)amino]-3-methoxypropane.

Molecular Properties

Compound Name1-[azidosulfonyl(methyl)amino]-3-methoxypropane
PubChem CID87527911
Molecular FormulaC5H12N4O3S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC Name1-[azidosulfonyl(methyl)amino]-3-methoxypropane
SMILESCOCCCN(C)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C5H12N4O3S/c1-9(4-3-5-12-2)13(10,11)8-7-6/h3-5H2,1-2H3
InChIKeyAQRXHQKSPUMWNB-UHFFFAOYSA-N
XLogP0.51
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.51
H-Bond Donors ≤ 50
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

1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane
CID 87527905
[3-methoxypropyl(methyl)amino]phosphonic acid
CID 88812930
2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 81246026
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
CID 100729589
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62986254
1-azido-3-(2-methoxyethylsulfonyl)propane
CID 61396911
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651076
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663

Frequently Asked Questions

What is the IUPAC name of 1-[azidosulfonyl(methyl)amino]-3-methoxypropane?
The IUPAC name of 1-[azidosulfonyl(methyl)amino]-3-methoxypropane (CID 87527911) is 1-[azidosulfonyl(methyl)amino]-3-methoxypropane.
What is the SMILES notation for 1-[azidosulfonyl(methyl)amino]-3-methoxypropane?
The canonical SMILES for 1-[azidosulfonyl(methyl)amino]-3-methoxypropane is COCCCN(C)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 1-[azidosulfonyl(methyl)amino]-3-methoxypropane?
The InChIKey is AQRXHQKSPUMWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O3S/c1-9(4-3-5-12-2)13(10,11)8-7-6/h3-5H2,1-2H3.
What are the key properties of 1-[azidosulfonyl(methyl)amino]-3-methoxypropane?
1-[azidosulfonyl(methyl)amino]-3-methoxypropane has a molecular weight of 208.24 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azidosulfonyl(methyl)amino]-3-methoxypropane is sourced from PubChem (CID 87527911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).