2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C14H24N2O3S — CID 79876311

IUPAC2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCNC3(CCCCC3)C2)S1(=O)=O
InChIInChI=1S/C14H24N2O3S/c1-13(2)12(17)16(20(13,18)19)11-6-9-15-14(10-11)7-4-3-5-8-14/h11,15H,3-10H2,1-2H3
InChIKeyBGLAGZKRAYSUQM-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.39
Rot. Bonds1

About 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79876311) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79876311
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCNC3(CCCCC3)C2)S1(=O)=O
InChIInChI=1S/C14H24N2O3S/c1-13(2)12(17)16(20(13,18)19)11-6-9-15-14(10-11)7-4-3-5-8-14/h11,15H,3-10H2,1-2H3
InChIKeyBGLAGZKRAYSUQM-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

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Related Compounds

1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one
CID 79884762
3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690166
4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane
CID 79680272
2-(5-azaspiro[3.5]nonan-8-yl)-2-azaspiro[4.4]nonane-1,3-dione
CID 61350736
4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane
CID 79678092
2-(5-azaspiro[3.5]nonan-8-yl)-2-azaspiro[3.5]nonane
CID 79677731
4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one
CID 79873810
4-(1-azaspiro[5.5]undecan-4-yl)morpholine
CID 79677734
N,N-dimethyl-1-azaspiro[5.5]undecan-4-amine
CID 79678093
4-fluoro-1-azaspiro[5.5]undecane;hydrochloride
CID 115025639
4-(5-azaspiro[3.5]nonan-8-yl)morpholine
CID 79677979
3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
CID 64925182

Frequently Asked Questions

What is the IUPAC name of 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79876311) is 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(C2CCNC3(CCCCC3)C2)S1(=O)=O.
What is the InChIKey of 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is BGLAGZKRAYSUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-13(2)12(17)16(20(13,18)19)11-6-9-15-14(10-11)7-4-3-5-8-14/h11,15H,3-10H2,1-2H3.
What are the key properties of 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 300.42 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79876311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).