1,4-dioxa-7,13-dithia-10-azacyclopentadecane

C10H21NO2S2 — CID 11680397

IUPAC1,4-dioxa-7,13-dithia-10-azacyclopentadecane
SMILESC1CSCCOCCOCCSCCN1
InChIInChI=1S/C10H21NO2S2/c1-7-14-9-5-12-3-4-13-6-10-15-8-2-11-1/h11H,1-10H2
InChIKeyAJMVWEGRBWZCID-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.09
Rot. Bonds

About 1,4-dioxa-7,13-dithia-10-azacyclopentadecane

1,4-dioxa-7,13-dithia-10-azacyclopentadecane (PubChem CID 11680397) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1,4-dioxa-7,13-dithia-10-azacyclopentadecane.

Molecular Properties

Compound Name1,4-dioxa-7,13-dithia-10-azacyclopentadecane
PubChem CID11680397
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC Name1,4-dioxa-7,13-dithia-10-azacyclopentadecane
SMILESC1CSCCOCCOCCSCCN1
InChIInChI=1S/C10H21NO2S2/c1-7-14-9-5-12-3-4-13-6-10-15-8-2-11-1/h11H,1-10H2
InChIKeyAJMVWEGRBWZCID-UHFFFAOYSA-N
XLogP1.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7,13-dithia-10-azacyclopentadecane?
The IUPAC name of 1,4-dioxa-7,13-dithia-10-azacyclopentadecane (CID 11680397) is 1,4-dioxa-7,13-dithia-10-azacyclopentadecane.
What is the SMILES notation for 1,4-dioxa-7,13-dithia-10-azacyclopentadecane?
The canonical SMILES for 1,4-dioxa-7,13-dithia-10-azacyclopentadecane is C1CSCCOCCOCCSCCN1.
What is the InChIKey of 1,4-dioxa-7,13-dithia-10-azacyclopentadecane?
The InChIKey is AJMVWEGRBWZCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-7-14-9-5-12-3-4-13-6-10-15-8-2-11-1/h11H,1-10H2.
What are the key properties of 1,4-dioxa-7,13-dithia-10-azacyclopentadecane?
1,4-dioxa-7,13-dithia-10-azacyclopentadecane has a molecular weight of 251.42 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7,13-dithia-10-azacyclopentadecane is sourced from PubChem (CID 11680397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).