11-methyl-2-thia-9-azaspiro[5.5]undecane

C10H19NS — CID 79320397

IUPAC11-methyl-2-thia-9-azaspiro[5.5]undecane
SMILESCC1CNCCC12CCCSC2
InChIInChI=1S/C10H19NS/c1-9-7-11-5-4-10(9)3-2-6-12-8-10/h9,11H,2-8H2,1H3
InChIKeyAVFSULWFHAASSC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.13
Rot. Bonds

About 11-methyl-2-thia-9-azaspiro[5.5]undecane

11-methyl-2-thia-9-azaspiro[5.5]undecane (PubChem CID 79320397) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 11-methyl-2-thia-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-methyl-2-thia-9-azaspiro[5.5]undecane
PubChem CID79320397
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name11-methyl-2-thia-9-azaspiro[5.5]undecane
SMILESCC1CNCCC12CCCSC2
InChIInChI=1S/C10H19NS/c1-9-7-11-5-4-10(9)3-2-6-12-8-10/h9,11H,2-8H2,1H3
InChIKeyAVFSULWFHAASSC-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2-thia-9-azaspiro[5.5]undecane?
The IUPAC name of 11-methyl-2-thia-9-azaspiro[5.5]undecane (CID 79320397) is 11-methyl-2-thia-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-methyl-2-thia-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-methyl-2-thia-9-azaspiro[5.5]undecane is CC1CNCCC12CCCSC2.
What is the InChIKey of 11-methyl-2-thia-9-azaspiro[5.5]undecane?
The InChIKey is AVFSULWFHAASSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9-7-11-5-4-10(9)3-2-6-12-8-10/h9,11H,2-8H2,1H3.
What are the key properties of 11-methyl-2-thia-9-azaspiro[5.5]undecane?
11-methyl-2-thia-9-azaspiro[5.5]undecane has a molecular weight of 185.34 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2-thia-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79320397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).