3-(3-azidopropylsulfonyl)-2-methyloxolane

C8H15N3O3S — CID 107754204

IUPAC3-(3-azidopropylsulfonyl)-2-methyloxolane
SMILESCC1OCCC1S(=O)(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C8H15N3O3S/c1-7-8(3-5-14-7)15(12,13)6-2-4-10-11-9/h7-8H,2-6H2,1H3
InChIKeyCBSTWBCKGVNJTF-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.28
Rot. Bonds5

About 3-(3-azidopropylsulfonyl)-2-methyloxolane

3-(3-azidopropylsulfonyl)-2-methyloxolane (PubChem CID 107754204) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(3-azidopropylsulfonyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(3-azidopropylsulfonyl)-2-methyloxolane
PubChem CID107754204
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name3-(3-azidopropylsulfonyl)-2-methyloxolane
SMILESCC1OCCC1S(=O)(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C8H15N3O3S/c1-7-8(3-5-14-7)15(12,13)6-2-4-10-11-9/h7-8H,2-6H2,1H3
InChIKeyCBSTWBCKGVNJTF-UHFFFAOYSA-N
XLogP1.28
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.28
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-azidoethylsulfonyl)-2-methyloxolane
CID 107754203
3-(3-chloropropylsulfonyl)-2-methyloxolane
CID 107746967
4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756941
5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
CID 107746515
2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine
CID 107756899
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
2,2-dimethyl-5-(2-methyloxolan-3-yl)sulfonylpentanenitrile
CID 113336435
2,2-dimethyl-6-(2-methyloxolan-3-yl)sulfonylhexanenitrile
CID 106831667
(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
CID 97326442
N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
CID 82749499
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
sodium 3-azidopropane-1-sulfonate
CID 58931865

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidopropylsulfonyl)-2-methyloxolane?
The IUPAC name of 3-(3-azidopropylsulfonyl)-2-methyloxolane (CID 107754204) is 3-(3-azidopropylsulfonyl)-2-methyloxolane.
What is the SMILES notation for 3-(3-azidopropylsulfonyl)-2-methyloxolane?
The canonical SMILES for 3-(3-azidopropylsulfonyl)-2-methyloxolane is CC1OCCC1S(=O)(=O)CCCN=[N+]=[N-].
What is the InChIKey of 3-(3-azidopropylsulfonyl)-2-methyloxolane?
The InChIKey is CBSTWBCKGVNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-7-8(3-5-14-7)15(12,13)6-2-4-10-11-9/h7-8H,2-6H2,1H3.
What are the key properties of 3-(3-azidopropylsulfonyl)-2-methyloxolane?
3-(3-azidopropylsulfonyl)-2-methyloxolane has a molecular weight of 233.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidopropylsulfonyl)-2-methyloxolane is sourced from PubChem (CID 107754204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).