1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione

C10H18N2O4S — CID 11807484

IUPAC1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
SMILESO=C1CSCC(=O)NCCOCCOCCN1
InChIInChI=1S/C10H18N2O4S/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyQAWOMJJHKOEREA-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.00
Rot. Bonds

About 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione

1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione (PubChem CID 11807484) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione.

Molecular Properties

Compound Name1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
PubChem CID11807484
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
SMILESO=C1CSCC(=O)NCCOCCOCCN1
InChIInChI=1S/C10H18N2O4S/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyQAWOMJJHKOEREA-UHFFFAOYSA-N
XLogP-1.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione?
The IUPAC name of 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione (CID 11807484) is 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione.
What is the SMILES notation for 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione?
The canonical SMILES for 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione is O=C1CSCC(=O)NCCOCCOCCN1.
What is the InChIKey of 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione?
The InChIKey is QAWOMJJHKOEREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14).
What are the key properties of 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione?
1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione has a molecular weight of 262.33 g/mol, XLogP of -1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione is sourced from PubChem (CID 11807484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).