1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione

C14H26N2O5S2 — CID 10915538

IUPAC1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione
SMILESO=C1CSCCOCCSCC(=O)NCCOCCOCCN1
InChIInChI=1S/C14H26N2O5S2/c17-13-11-22-9-7-21-8-10-23-12-14(18)16-2-4-20-6-5-19-3-1-15-13/h1-12H2,(H,15,17)(H,16,18)
InChIKeyCREFRNFVXXSIQN-UHFFFAOYSA-N
MW366.51 g/mol
LogP-0.25
Rot. Bonds

About 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione

1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione (PubChem CID 10915538) has the molecular formula C14H26N2O5S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione.

Molecular Properties

Compound Name1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione
PubChem CID10915538
Molecular FormulaC14H26N2O5S2
Molecular Weight366.51 g/mol
Exact Mass366.13
IUPAC Name1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione
SMILESO=C1CSCCOCCSCC(=O)NCCOCCOCCN1
InChIInChI=1S/C14H26N2O5S2/c17-13-11-22-9-7-21-8-10-23-12-14(18)16-2-4-20-6-5-19-3-1-15-13/h1-12H2,(H,15,17)(H,16,18)
InChIKeyCREFRNFVXXSIQN-UHFFFAOYSA-N
XLogP-0.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane
CID 158126715
13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione
CID 10992026
1,4-oxazocan-5-one
CID 86068179
1-oxa-4,7,10,13-tetrathiacyclopentadecane
CID 12872708
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
aziridine;oxirane;thiirane
CID 157489289
1,4-oxathiane
CID 157277006
6-oxa-3,9-dithiabicyclo[9.2.2]pentadeca-1(13),11,14-triene
CID 5247297
1,9,12,15-tetraoxa-4,6-diazacycloheptadecane-5-thione
CID 3123181
Borane 1,4-thioxane
CID 11137144
22-amino-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.3.1]docosa-1(22),18,20-triene-4,15-dione
CID 86077985

Frequently Asked Questions

What is the IUPAC name of 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione?
The IUPAC name of 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione (CID 10915538) is 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione.
What is the SMILES notation for 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione?
The canonical SMILES for 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione is O=C1CSCCOCCSCC(=O)NCCOCCOCCN1.
What is the InChIKey of 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione?
The InChIKey is CREFRNFVXXSIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S2/c17-13-11-22-9-7-21-8-10-23-12-14(18)16-2-4-20-6-5-19-3-1-15-13/h1-12H2,(H,15,17)(H,16,18).
What are the key properties of 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione?
1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione has a molecular weight of 366.51 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,13-trioxa-10,16-dithia-7,19-diazacyclohenicosane-8,18-dione is sourced from PubChem (CID 10915538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).