1,5-thiazonane

C7H15NS — CID 55287589

IUPAC1,5-thiazonane
SMILESC1CCSCCCNC1
InChIInChI=1S/C7H15NS/c1-2-6-9-7-3-5-8-4-1/h8H,1-7H2
InChIKeyLIKKXZNPIRAVDK-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds

About 1,5-thiazonane

1,5-thiazonane (PubChem CID 55287589) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1,5-thiazonane.

Molecular Properties

Compound Name1,5-thiazonane
PubChem CID55287589
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1,5-thiazonane
SMILESC1CCSCCCNC1
InChIInChI=1S/C7H15NS/c1-2-6-9-7-3-5-8-4-1/h8H,1-7H2
InChIKeyLIKKXZNPIRAVDK-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-thiazonane?
The IUPAC name of 1,5-thiazonane (CID 55287589) is 1,5-thiazonane.
What is the SMILES notation for 1,5-thiazonane?
The canonical SMILES for 1,5-thiazonane is C1CCSCCCNC1.
What is the InChIKey of 1,5-thiazonane?
The InChIKey is LIKKXZNPIRAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-6-9-7-3-5-8-4-1/h8H,1-7H2.
What are the key properties of 1,5-thiazonane?
1,5-thiazonane has a molecular weight of 145.27 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-thiazonane is sourced from PubChem (CID 55287589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).