11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane

C13H22ClNO6S — CID 171349837

IUPAC11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane
SMILESO=S(=O)(CCCCl)N1CCC2(CC1)OOC1(CCCC1)OO2
InChIInChI=1S/C13H22ClNO6S/c14-8-3-11-22(16,17)15-9-6-13(7-10-15)20-18-12(19-21-13)4-1-2-5-12/h1-11H2
InChIKeyVAEWBWPDKGAMDB-UHFFFAOYSA-N
MW355.84 g/mol
LogP1.92
Rot. Bonds4

About 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane

11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane (PubChem CID 171349837) has the molecular formula C13H22ClNO6S and a molecular weight of 355.84 g/mol. Its IUPAC name is 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane.

Molecular Properties

Compound Name11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane
PubChem CID171349837
Molecular FormulaC13H22ClNO6S
Molecular Weight355.84 g/mol
Exact Mass355.09
IUPAC Name11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane
SMILESO=S(=O)(CCCCl)N1CCC2(CC1)OOC1(CCCC1)OO2
InChIInChI=1S/C13H22ClNO6S/c14-8-3-11-22(16,17)15-9-6-13(7-10-15)20-18-12(19-21-13)4-1-2-5-12/h1-11H2
InChIKeyVAEWBWPDKGAMDB-UHFFFAOYSA-N
XLogP1.92
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane?
The IUPAC name of 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane (CID 171349837) is 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane.
What is the SMILES notation for 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane?
The canonical SMILES for 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane is O=S(=O)(CCCCl)N1CCC2(CC1)OOC1(CCCC1)OO2.
What is the InChIKey of 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane?
The InChIKey is VAEWBWPDKGAMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO6S/c14-8-3-11-22(16,17)15-9-6-13(7-10-15)20-18-12(19-21-13)4-1-2-5-12/h1-11H2.
What are the key properties of 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane?
11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane has a molecular weight of 355.84 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-chloropropylsulfonyl)-6,7,14,15-tetraoxa-11-azadispiro[4.2.58.25]pentadecane is sourced from PubChem (CID 171349837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).