[(4R)-7-azidohept-1-en-4-yl] methanesulfonate

C8H15N3O3S — CID 10944349

IUPAC[(4R)-7-azidohept-1-en-4-yl] methanesulfonate
SMILESC=CC[C@@H](CCCN=[N+]=[N-])OS(C)(=O)=O
InChIInChI=1S/C8H15N3O3S/c1-3-5-8(14-15(2,12)13)6-4-7-10-11-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyIIUKFJGDTFLDFS-QMMMGPOBSA-N
MW233.29 g/mol
LogP2.00
Rot. Bonds8

About [(4R)-7-azidohept-1-en-4-yl] methanesulfonate

[(4R)-7-azidohept-1-en-4-yl] methanesulfonate (PubChem CID 10944349) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is [(4R)-7-azidohept-1-en-4-yl] methanesulfonate.

Molecular Properties

Compound Name[(4R)-7-azidohept-1-en-4-yl] methanesulfonate
PubChem CID10944349
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name[(4R)-7-azidohept-1-en-4-yl] methanesulfonate
SMILESC=CC[C@@H](CCCN=[N+]=[N-])OS(C)(=O)=O
InChIInChI=1S/C8H15N3O3S/c1-3-5-8(14-15(2,12)13)6-4-7-10-11-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyIIUKFJGDTFLDFS-QMMMGPOBSA-N
XLogP2.00
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(4S)-nona-1,8-dien-4-yl] methanesulfonate
CID 52952537
5-methylsulfonyloxyocta-1,7-dien-4-yl methanesulfonate
CID 12977976
1-azido-4-methylpentane
CID 58070777
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
nonacosan-11-yl methanesulfonate
CID 162497235
hepta-1,6-dien-4-yl methyl sulfate
CID 141147379
heptatriacontan-19-yl methanesulfonate
CID 59202246
3-(5-azidopentanoylamino)propyl methanesulfonate
CID 129036756
(4S)-1-azido-4-fluoropentane
CID 134547070
11-azidoundec-1-ene
CID 10965429
3-azidopropyl(triethoxy)phosphanium
CID 164843743
4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063

Frequently Asked Questions

What is the IUPAC name of [(4R)-7-azidohept-1-en-4-yl] methanesulfonate?
The IUPAC name of [(4R)-7-azidohept-1-en-4-yl] methanesulfonate (CID 10944349) is [(4R)-7-azidohept-1-en-4-yl] methanesulfonate.
What is the SMILES notation for [(4R)-7-azidohept-1-en-4-yl] methanesulfonate?
The canonical SMILES for [(4R)-7-azidohept-1-en-4-yl] methanesulfonate is C=CC[C@@H](CCCN=[N+]=[N-])OS(C)(=O)=O.
What is the InChIKey of [(4R)-7-azidohept-1-en-4-yl] methanesulfonate?
The InChIKey is IIUKFJGDTFLDFS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-3-5-8(14-15(2,12)13)6-4-7-10-11-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of [(4R)-7-azidohept-1-en-4-yl] methanesulfonate?
[(4R)-7-azidohept-1-en-4-yl] methanesulfonate has a molecular weight of 233.29 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-7-azidohept-1-en-4-yl] methanesulfonate is sourced from PubChem (CID 10944349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).