1,5-thiazonan-6-one

C7H13NOS — CID 71441884

IUPAC1,5-thiazonan-6-one
SMILESO=C1CCCSCCCN1
InChIInChI=1S/C7H13NOS/c9-7-3-1-5-10-6-2-4-8-7/h1-6H2,(H,8,9)
InChIKeyYKDAUGPEJZVQLN-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.02
Rot. Bonds

About 1,5-thiazonan-6-one

1,5-thiazonan-6-one (PubChem CID 71441884) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 1,5-thiazonan-6-one.

Molecular Properties

Compound Name1,5-thiazonan-6-one
PubChem CID71441884
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name1,5-thiazonan-6-one
SMILESO=C1CCCSCCCN1
InChIInChI=1S/C7H13NOS/c9-7-3-1-5-10-6-2-4-8-7/h1-6H2,(H,8,9)
InChIKeyYKDAUGPEJZVQLN-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-thiazonan-6-one?
The IUPAC name of 1,5-thiazonan-6-one (CID 71441884) is 1,5-thiazonan-6-one.
What is the SMILES notation for 1,5-thiazonan-6-one?
The canonical SMILES for 1,5-thiazonan-6-one is O=C1CCCSCCCN1.
What is the InChIKey of 1,5-thiazonan-6-one?
The InChIKey is YKDAUGPEJZVQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c9-7-3-1-5-10-6-2-4-8-7/h1-6H2,(H,8,9).
What are the key properties of 1,5-thiazonan-6-one?
1,5-thiazonan-6-one has a molecular weight of 159.25 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-thiazonan-6-one is sourced from PubChem (CID 71441884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).