1,4,7-trithia-10,13-diazacyclopentadecane

C10H22N2S3 — CID 11651878

IUPAC1,4,7-trithia-10,13-diazacyclopentadecane
SMILESC1CNCCSCCSCCSCCN1
InChIInChI=1S/C10H22N2S3/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h11-12H,1-10H2
InChIKeyYBNAQZVIPDWOJF-UHFFFAOYSA-N
MW266.50 g/mol
LogP1.38
Rot. Bonds

About 1,4,7-trithia-10,13-diazacyclopentadecane

1,4,7-trithia-10,13-diazacyclopentadecane (PubChem CID 11651878) has the molecular formula C10H22N2S3 and a molecular weight of 266.50 g/mol. Its IUPAC name is 1,4,7-trithia-10,13-diazacyclopentadecane.

Molecular Properties

Compound Name1,4,7-trithia-10,13-diazacyclopentadecane
PubChem CID11651878
Molecular FormulaC10H22N2S3
Molecular Weight266.50 g/mol
Exact Mass266.09
IUPAC Name1,4,7-trithia-10,13-diazacyclopentadecane
SMILESC1CNCCSCCSCCSCCN1
InChIInChI=1S/C10H22N2S3/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h11-12H,1-10H2
InChIKeyYBNAQZVIPDWOJF-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,4,7-trithia-10,13-diazacyclopentadecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trithia-10,13-diazacyclopentadecane?
The IUPAC name of 1,4,7-trithia-10,13-diazacyclopentadecane (CID 11651878) is 1,4,7-trithia-10,13-diazacyclopentadecane.
What is the SMILES notation for 1,4,7-trithia-10,13-diazacyclopentadecane?
The canonical SMILES for 1,4,7-trithia-10,13-diazacyclopentadecane is C1CNCCSCCSCCSCCN1.
What is the InChIKey of 1,4,7-trithia-10,13-diazacyclopentadecane?
The InChIKey is YBNAQZVIPDWOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S3/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h11-12H,1-10H2.
What are the key properties of 1,4,7-trithia-10,13-diazacyclopentadecane?
1,4,7-trithia-10,13-diazacyclopentadecane has a molecular weight of 266.50 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trithia-10,13-diazacyclopentadecane is sourced from PubChem (CID 11651878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).