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

C10H21NS4 — CID 14323352

IUPAC1,4,7,10-tetrathia-13-azacyclopentadecane
SMILESC1CSCCSCCSCCSCCN1
InChIInChI=1S/C10H21NS4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
InChIKeySDWWDPMXNIVDMR-UHFFFAOYSA-N
MW283.55 g/mol
LogP2.52
Rot. Bonds

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

1,4,7,10-tetrathia-13-azacyclopentadecane (PubChem CID 14323352) has the molecular formula C10H21NS4 and a molecular weight of 283.55 g/mol. Its IUPAC name is 1,4,7,10-tetrathia-13-azacyclopentadecane.

Molecular Properties

Compound Name1,4,7,10-tetrathia-13-azacyclopentadecane
PubChem CID14323352
Molecular FormulaC10H21NS4
Molecular Weight283.55 g/mol
Exact Mass283.06
IUPAC Name1,4,7,10-tetrathia-13-azacyclopentadecane
SMILESC1CSCCSCCSCCSCCN1
InChIInChI=1S/C10H21NS4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
InChIKeySDWWDPMXNIVDMR-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrathia-13-azacyclopentadecane?
The IUPAC name of 1,4,7,10-tetrathia-13-azacyclopentadecane (CID 14323352) is 1,4,7,10-tetrathia-13-azacyclopentadecane.
What is the SMILES notation for 1,4,7,10-tetrathia-13-azacyclopentadecane?
The canonical SMILES for 1,4,7,10-tetrathia-13-azacyclopentadecane is C1CSCCSCCSCCSCCN1.
What is the InChIKey of 1,4,7,10-tetrathia-13-azacyclopentadecane?
The InChIKey is SDWWDPMXNIVDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2.
What are the key properties of 1,4,7,10-tetrathia-13-azacyclopentadecane?
1,4,7,10-tetrathia-13-azacyclopentadecane has a molecular weight of 283.55 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrathia-13-azacyclopentadecane is sourced from PubChem (CID 14323352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).