3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane

C11H21NS — CID 142990552

IUPAC3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane
SMILESCC1CC2(CN1)CC(C)(C)CCS2
InChIInChI=1S/C11H21NS/c1-9-6-11(8-12-9)7-10(2,3)4-5-13-11/h9,12H,4-8H2,1-3H3
InChIKeyFOAVCNJXKIODBV-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds

About 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane

3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane (PubChem CID 142990552) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane
PubChem CID142990552
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane
SMILESCC1CC2(CN1)CC(C)(C)CCS2
InChIInChI=1S/C11H21NS/c1-9-6-11(8-12-9)7-10(2,3)4-5-13-11/h9,12H,4-8H2,1-3H3
InChIKeyFOAVCNJXKIODBV-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane?
The IUPAC name of 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane (CID 142990552) is 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane.
What is the SMILES notation for 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane?
The canonical SMILES for 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane is CC1CC2(CN1)CC(C)(C)CCS2.
What is the InChIKey of 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane?
The InChIKey is FOAVCNJXKIODBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9-6-11(8-12-9)7-10(2,3)4-5-13-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane?
3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane has a molecular weight of 199.36 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,9-trimethyl-6-thia-2-azaspiro[4.5]decane is sourced from PubChem (CID 142990552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).