8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide

C7H13NO3S — CID 138006718

IUPAC8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide
SMILES[H]N=S1(=O)CCC2(CC1)OCCO2
InChIInChI=1S/C7H13NO3S/c8-12(9)5-1-7(2-6-12)10-3-4-11-7/h8H,1-6H2
InChIKeyQFHOWVUSTIZUGS-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.57
Rot. Bonds

About 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide

8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide (PubChem CID 138006718) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide.

Molecular Properties

Compound Name8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide
PubChem CID138006718
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide
SMILES[H]N=S1(=O)CCC2(CC1)OCCO2
InChIInChI=1S/C7H13NO3S/c8-12(9)5-1-7(2-6-12)10-3-4-11-7/h8H,1-6H2
InChIKeyQFHOWVUSTIZUGS-UHFFFAOYSA-N
XLogP0.57
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide?
The IUPAC name of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide (CID 138006718) is 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide.
What is the SMILES notation for 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide?
The canonical SMILES for 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide is [H]N=S1(=O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide?
The InChIKey is QFHOWVUSTIZUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c8-12(9)5-1-7(2-6-12)10-3-4-11-7/h8H,1-6H2.
What are the key properties of 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide?
8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide has a molecular weight of 191.25 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-1,4-dioxa-8λ6-thiaspiro[4.5]decane 8-oxide is sourced from PubChem (CID 138006718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).