3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane

C11H21NS — CID 80500491

IUPAC3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCCC1CSC2(CCCC2(C)C)N1
InChIInChI=1S/C11H21NS/c1-4-9-8-13-11(12-9)7-5-6-10(11,2)3/h9,12H,4-8H2,1-3H3
InChIKeyLZOPCHOIDOLVLB-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.01
Rot. Bonds1

About 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane

3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane (PubChem CID 80500491) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
PubChem CID80500491
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCCC1CSC2(CCCC2(C)C)N1
InChIInChI=1S/C11H21NS/c1-4-9-8-13-11(12-9)7-5-6-10(11,2)3/h9,12H,4-8H2,1-3H3
InChIKeyLZOPCHOIDOLVLB-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The IUPAC name of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane (CID 80500491) is 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane.
What is the SMILES notation for 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The canonical SMILES for 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane is CCC1CSC2(CCCC2(C)C)N1.
What is the InChIKey of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The InChIKey is LZOPCHOIDOLVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-9-8-13-11(12-9)7-5-6-10(11,2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane has a molecular weight of 199.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane is sourced from PubChem (CID 80500491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).