7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide

C13H23NO3S — CID 65213486

IUPAC7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide
SMILESO=S1(=O)CCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C13H23NO3S/c15-18(16)8-6-13(7-9-18)11-14-10-12(17-13)4-2-1-3-5-12/h14H,1-11H2
InChIKeyORVCQMOPGLRPGT-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.26
Rot. Bonds

About 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide

7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide (PubChem CID 65213486) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide.

Molecular Properties

Compound Name7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide
PubChem CID65213486
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide
SMILESO=S1(=O)CCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C13H23NO3S/c15-18(16)8-6-13(7-9-18)11-14-10-12(17-13)4-2-1-3-5-12/h14H,1-11H2
InChIKeyORVCQMOPGLRPGT-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide?
The IUPAC name of 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide (CID 65213486) is 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide.
What is the SMILES notation for 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide?
The canonical SMILES for 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide is O=S1(=O)CCC2(CC1)CNCC1(CCCCC1)O2.
What is the InChIKey of 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide?
The InChIKey is ORVCQMOPGLRPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c15-18(16)8-6-13(7-9-18)11-14-10-12(17-13)4-2-1-3-5-12/h14H,1-11H2.
What are the key properties of 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide?
7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide has a molecular weight of 273.40 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-11λ6-thia-15-azadispiro[5.1.58.36]hexadecane 11,11-dioxide is sourced from PubChem (CID 65213486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).