ethane;2-methyl-8-thia-2-azaspiro[4.5]decane

C11H23NS — CID 145416394

IUPACethane;2-methyl-8-thia-2-azaspiro[4.5]decane
SMILESCC.CN1CCC2(CCSCC2)C1
InChIInChI=1S/C9H17NS.C2H6/c1-10-5-2-9(8-10)3-6-11-7-4-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyLUTSJGIYUVWLOU-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds

About ethane;2-methyl-8-thia-2-azaspiro[4.5]decane

ethane;2-methyl-8-thia-2-azaspiro[4.5]decane (PubChem CID 145416394) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is ethane;2-methyl-8-thia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;2-methyl-8-thia-2-azaspiro[4.5]decane
PubChem CID145416394
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Nameethane;2-methyl-8-thia-2-azaspiro[4.5]decane
SMILESCC.CN1CCC2(CCSCC2)C1
InChIInChI=1S/C9H17NS.C2H6/c1-10-5-2-9(8-10)3-6-11-7-4-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyLUTSJGIYUVWLOU-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-8-thia-2-azaspiro[4.5]decane?
The IUPAC name of ethane;2-methyl-8-thia-2-azaspiro[4.5]decane (CID 145416394) is ethane;2-methyl-8-thia-2-azaspiro[4.5]decane.
What is the SMILES notation for ethane;2-methyl-8-thia-2-azaspiro[4.5]decane?
The canonical SMILES for ethane;2-methyl-8-thia-2-azaspiro[4.5]decane is CC.CN1CCC2(CCSCC2)C1.
What is the InChIKey of ethane;2-methyl-8-thia-2-azaspiro[4.5]decane?
The InChIKey is LUTSJGIYUVWLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS.C2H6/c1-10-5-2-9(8-10)3-6-11-7-4-9;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-8-thia-2-azaspiro[4.5]decane?
ethane;2-methyl-8-thia-2-azaspiro[4.5]decane has a molecular weight of 201.38 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-8-thia-2-azaspiro[4.5]decane is sourced from PubChem (CID 145416394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).