7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide

C8H15NOS — CID 157263117

IUPAC7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide
SMILESC=S1(=O)CCC2(CC1)CNC2
InChIInChI=1S/C8H15NOS/c1-11(10)4-2-8(3-5-11)6-9-7-8/h9H,1-7H2
InChIKeyURJCBQZLZPIILQ-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.09
Rot. Bonds

About 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide

7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide (PubChem CID 157263117) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide.

Molecular Properties

Compound Name7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide
PubChem CID157263117
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide
SMILESC=S1(=O)CCC2(CC1)CNC2
InChIInChI=1S/C8H15NOS/c1-11(10)4-2-8(3-5-11)6-9-7-8/h9H,1-7H2
InChIKeyURJCBQZLZPIILQ-UHFFFAOYSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

7Lambda6-thia-2-azaspiro[3.5]nonane-7,7-dione hydrochloride
CID 138039718
7-Thia-2-azaspiro[3.5]nonane hydrochloride
CID 137965718
7-Thia-2-azaspiro[3.5]nonane
CID 72207688
7-Thia-2-aza-spiro[3.5]nonane 7,7-dioxide
CID 72207762
Azane;7lambda6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
CID 118160596
7lambda4-Thia-2-azaspiro[3.5]nonane 7-oxide
CID 118185530
Ethane;7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145675244
7-Methylimino-7thia-2-azaspiro[3.5]nonane 7-oxide
CID 169566371
7lambda6-Thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen
CID 176956794
3-Ethyl-3-(2-methylsulfinylethyl)azetidine
CID 131227081
2-Methyl-7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145026630
7-Methylidene-7lambda4-thia-2-azaspiro[3.5]nonane
CID 159956613

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide?
The IUPAC name of 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide (CID 157263117) is 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide.
What is the SMILES notation for 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide?
The canonical SMILES for 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide is C=S1(=O)CCC2(CC1)CNC2.
What is the InChIKey of 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide?
The InChIKey is URJCBQZLZPIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-11(10)4-2-8(3-5-11)6-9-7-8/h9H,1-7H2.
What are the key properties of 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide?
7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide has a molecular weight of 173.28 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-7λ6-thia-2-azaspiro[3.5]nonane 7-oxide is sourced from PubChem (CID 157263117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).