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

C9H17NS — CID 80500793

IUPAC3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCC1(C)CSC2(CCCC2)N1
InChIInChI=1S/C9H17NS/c1-8(2)7-11-9(10-8)5-3-4-6-9/h10H,3-7H2,1-2H3
InChIKeyKHTOYPSQNYKEAJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.37
Rot. Bonds

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

3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane (PubChem CID 80500793) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
PubChem CID80500793
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCC1(C)CSC2(CCCC2)N1
InChIInChI=1S/C9H17NS/c1-8(2)7-11-9(10-8)5-3-4-6-9/h10H,3-7H2,1-2H3
InChIKeyKHTOYPSQNYKEAJ-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The IUPAC name of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane (CID 80500793) is 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane.
What is the SMILES notation for 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The canonical SMILES for 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane is CC1(C)CSC2(CCCC2)N1.
What is the InChIKey of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The InChIKey is KHTOYPSQNYKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)7-11-9(10-8)5-3-4-6-9/h10H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane has a molecular weight of 171.31 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane is sourced from PubChem (CID 80500793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).