2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C11H20N2OS — CID 22097515

IUPAC2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C11H20N2OS/c1-4-9-10(14)13(3)11(15-9)5-7-12(2)8-6-11/h9H,4-8H2,1-3H3
InChIKeyLFILQFFBSPEZJH-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.39
Rot. Bonds1

About 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 22097515) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID22097515
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C11H20N2OS/c1-4-9-10(14)13(3)11(15-9)5-7-12(2)8-6-11/h9H,4-8H2,1-3H3
InChIKeyLFILQFFBSPEZJH-UHFFFAOYSA-N
XLogP1.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 22097515) is 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCC1SC2(CCN(C)CC2)N(C)C1=O.
What is the InChIKey of 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is LFILQFFBSPEZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-9-10(14)13(3)11(15-9)5-7-12(2)8-6-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 228.36 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 22097515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).