1,5-dithia-9,13-diazacyclohexadecane

C12H26N2S2 — CID 23422512

IUPAC1,5-dithia-9,13-diazacyclohexadecane
SMILESC1CNCCCSCCCSCCCNC1
InChIInChI=1S/C12H26N2S2/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h13-14H,1-12H2
InChIKeyHPOIYEQILRNVHT-UHFFFAOYSA-N
MW262.49 g/mol
LogP2.21
Rot. Bonds

About 1,5-dithia-9,13-diazacyclohexadecane

1,5-dithia-9,13-diazacyclohexadecane (PubChem CID 23422512) has the molecular formula C12H26N2S2 and a molecular weight of 262.49 g/mol. Its IUPAC name is 1,5-dithia-9,13-diazacyclohexadecane.

Molecular Properties

Compound Name1,5-dithia-9,13-diazacyclohexadecane
PubChem CID23422512
Molecular FormulaC12H26N2S2
Molecular Weight262.49 g/mol
Exact Mass262.15
IUPAC Name1,5-dithia-9,13-diazacyclohexadecane
SMILESC1CNCCCSCCCSCCCNC1
InChIInChI=1S/C12H26N2S2/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h13-14H,1-12H2
InChIKeyHPOIYEQILRNVHT-UHFFFAOYSA-N
XLogP2.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dithia-9,13-diazacyclohexadecane?
The IUPAC name of 1,5-dithia-9,13-diazacyclohexadecane (CID 23422512) is 1,5-dithia-9,13-diazacyclohexadecane.
What is the SMILES notation for 1,5-dithia-9,13-diazacyclohexadecane?
The canonical SMILES for 1,5-dithia-9,13-diazacyclohexadecane is C1CNCCCSCCCSCCCNC1.
What is the InChIKey of 1,5-dithia-9,13-diazacyclohexadecane?
The InChIKey is HPOIYEQILRNVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S2/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h13-14H,1-12H2.
What are the key properties of 1,5-dithia-9,13-diazacyclohexadecane?
1,5-dithia-9,13-diazacyclohexadecane has a molecular weight of 262.49 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithia-9,13-diazacyclohexadecane is sourced from PubChem (CID 23422512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).