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

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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).