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

C9H16N2OS — CID 22139651

IUPAC2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1SC2(CCN(C)CC2)NC1=O
InChIInChI=1S/C9H16N2OS/c1-7-8(12)10-9(13-7)3-5-11(2)6-4-9/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyQUAAWVSDJQPGBI-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.66
Rot. Bonds

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

2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 22139651) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID22139651
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1SC2(CCN(C)CC2)NC1=O
InChIInChI=1S/C9H16N2OS/c1-7-8(12)10-9(13-7)3-5-11(2)6-4-9/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyQUAAWVSDJQPGBI-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 22139651) is 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC1SC2(CCN(C)CC2)NC1=O.
What is the InChIKey of 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QUAAWVSDJQPGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7-8(12)10-9(13-7)3-5-11(2)6-4-9/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 200.31 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 22139651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).