7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide

C12H19NOS — CID 168906730

IUPAC7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
SMILESO=S1CC2(CCN(C3CC4CC4C3)C2)C1
InChIInChI=1S/C12H19NOS/c14-15-7-12(8-15)1-2-13(6-12)11-4-9-3-10(9)5-11/h9-11H,1-8H2
InChIKeyMWDMYGJAVHQQLZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.24
Rot. Bonds1

About 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide

7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide (PubChem CID 168906730) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide.

Molecular Properties

Compound Name7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
PubChem CID168906730
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
SMILESO=S1CC2(CCN(C3CC4CC4C3)C2)C1
InChIInChI=1S/C12H19NOS/c14-15-7-12(8-15)1-2-13(6-12)11-4-9-3-10(9)5-11/h9-11H,1-8H2
InChIKeyMWDMYGJAVHQQLZ-UHFFFAOYSA-N
XLogP1.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
CID 168907021
7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
CID 168906728
tert-butyl 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 140810799
7-[1-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168907353
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907014
2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 167417537
7-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-2,7-diazaspiro[3.4]octane
CID 167417671
3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol
CID 130949185
6-cyclobutyl-2-propan-2-yl-6-azaspiro[3.4]octane
CID 170739996
(5R,8R)-2-cyclopropyl-2-azaspiro[4.4]nonan-8-amine
CID 98089063
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519

Frequently Asked Questions

What is the IUPAC name of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide?
The IUPAC name of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide (CID 168906730) is 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide.
What is the SMILES notation for 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide?
The canonical SMILES for 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide is O=S1CC2(CCN(C3CC4CC4C3)C2)C1.
What is the InChIKey of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide?
The InChIKey is MWDMYGJAVHQQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c14-15-7-12(8-15)1-2-13(6-12)11-4-9-3-10(9)5-11/h9-11H,1-8H2.
What are the key properties of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide?
7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide has a molecular weight of 225.36 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide is sourced from PubChem (CID 168906730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).