ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide

C12H27NOS — CID 176939885

IUPACethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
SMILESCC.CC.CC1CC2(CCN1)CS(=O)C2
InChIInChI=1S/C8H15NOS.2C2H6/c1-7-4-8(2-3-9-7)5-11(10)6-8;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3
InChIKeyIVKMJGNHMRBAFI-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.56
Rot. Bonds

About ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide

ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide (PubChem CID 176939885) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide.

Molecular Properties

Compound Nameethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
PubChem CID176939885
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Nameethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
SMILESCC.CC.CC1CC2(CCN1)CS(=O)C2
InChIInChI=1S/C8H15NOS.2C2H6/c1-7-4-8(2-3-9-7)5-11(10)6-8;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3
InChIKeyIVKMJGNHMRBAFI-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The IUPAC name of ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide (CID 176939885) is ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide.
What is the SMILES notation for ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The canonical SMILES for ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide is CC.CC.CC1CC2(CCN1)CS(=O)C2.
What is the InChIKey of ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
The InChIKey is IVKMJGNHMRBAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS.2C2H6/c1-7-4-8(2-3-9-7)5-11(10)6-8;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide?
ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide has a molecular weight of 233.42 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide is sourced from PubChem (CID 176939885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).