1,4-dithia-8,11-diazacyclotetradecane

C10H22N2S2 — CID 23422511

IUPAC1,4-dithia-8,11-diazacyclotetradecane
SMILESC1CNCCNCCCSCCSC1
InChIInChI=1S/C10H22N2S2/c1-3-11-5-6-12-4-2-8-14-10-9-13-7-1/h11-12H,1-10H2
InChIKeyFITMXJKPKVAECF-UHFFFAOYSA-N
MW234.43 g/mol
LogP1.43
Rot. Bonds

About 1,4-dithia-8,11-diazacyclotetradecane

1,4-dithia-8,11-diazacyclotetradecane (PubChem CID 23422511) has the molecular formula C10H22N2S2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,4-dithia-8,11-diazacyclotetradecane.

Molecular Properties

Compound Name1,4-dithia-8,11-diazacyclotetradecane
PubChem CID23422511
Molecular FormulaC10H22N2S2
Molecular Weight234.43 g/mol
Exact Mass234.12
IUPAC Name1,4-dithia-8,11-diazacyclotetradecane
SMILESC1CNCCNCCCSCCSC1
InChIInChI=1S/C10H22N2S2/c1-3-11-5-6-12-4-2-8-14-10-9-13-7-1/h11-12H,1-10H2
InChIKeyFITMXJKPKVAECF-UHFFFAOYSA-N
XLogP1.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,4-dithia-8,11-diazacyclotetradecane 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-dithia-8,11-diazacyclotetradecane?
The IUPAC name of 1,4-dithia-8,11-diazacyclotetradecane (CID 23422511) is 1,4-dithia-8,11-diazacyclotetradecane.
What is the SMILES notation for 1,4-dithia-8,11-diazacyclotetradecane?
The canonical SMILES for 1,4-dithia-8,11-diazacyclotetradecane is C1CNCCNCCCSCCSC1.
What is the InChIKey of 1,4-dithia-8,11-diazacyclotetradecane?
The InChIKey is FITMXJKPKVAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S2/c1-3-11-5-6-12-4-2-8-14-10-9-13-7-1/h11-12H,1-10H2.
What are the key properties of 1,4-dithia-8,11-diazacyclotetradecane?
1,4-dithia-8,11-diazacyclotetradecane has a molecular weight of 234.43 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithia-8,11-diazacyclotetradecane is sourced from PubChem (CID 23422511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).