1,4,10,13-tetrathia-7-azacyclohexadecane

C11H23NS4 — CID 15266801

IUPAC1,4,10,13-tetrathia-7-azacyclohexadecane
SMILESC1CSCCSCCNCCSCCSC1
InChIInChI=1S/C11H23NS4/c1-4-13-8-10-15-6-2-12-3-7-16-11-9-14-5-1/h12H,1-11H2
InChIKeyMQOCXLFHMUGVGP-UHFFFAOYSA-N
MW297.58 g/mol
LogP2.91
Rot. Bonds

About 1,4,10,13-tetrathia-7-azacyclohexadecane

1,4,10,13-tetrathia-7-azacyclohexadecane (PubChem CID 15266801) has the molecular formula C11H23NS4 and a molecular weight of 297.58 g/mol. Its IUPAC name is 1,4,10,13-tetrathia-7-azacyclohexadecane.

Molecular Properties

Compound Name1,4,10,13-tetrathia-7-azacyclohexadecane
PubChem CID15266801
Molecular FormulaC11H23NS4
Molecular Weight297.58 g/mol
Exact Mass297.07
IUPAC Name1,4,10,13-tetrathia-7-azacyclohexadecane
SMILESC1CSCCSCCNCCSCCSC1
InChIInChI=1S/C11H23NS4/c1-4-13-8-10-15-6-2-12-3-7-16-11-9-14-5-1/h12H,1-11H2
InChIKeyMQOCXLFHMUGVGP-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,10,13-tetrathia-7-azacyclohexadecane?
The IUPAC name of 1,4,10,13-tetrathia-7-azacyclohexadecane (CID 15266801) is 1,4,10,13-tetrathia-7-azacyclohexadecane.
What is the SMILES notation for 1,4,10,13-tetrathia-7-azacyclohexadecane?
The canonical SMILES for 1,4,10,13-tetrathia-7-azacyclohexadecane is C1CSCCSCCNCCSCCSC1.
What is the InChIKey of 1,4,10,13-tetrathia-7-azacyclohexadecane?
The InChIKey is MQOCXLFHMUGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS4/c1-4-13-8-10-15-6-2-12-3-7-16-11-9-14-5-1/h12H,1-11H2.
What are the key properties of 1,4,10,13-tetrathia-7-azacyclohexadecane?
1,4,10,13-tetrathia-7-azacyclohexadecane has a molecular weight of 297.58 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,10,13-tetrathia-7-azacyclohexadecane is sourced from PubChem (CID 15266801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).