4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one

C12H22N2O4S — CID 79887312

IUPAC4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one
SMILESCC(NCCN1C(=O)C(C)(C)S1(=O)=O)C1CCCO1
InChIInChI=1S/C12H22N2O4S/c1-9(10-5-4-8-18-10)13-6-7-14-11(15)12(2,3)19(14,16)17/h9-10,13H,4-8H2,1-3H3
InChIKeyMKUCJNSFYSEYLZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.09
Rot. Bonds5

About 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one

4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one (PubChem CID 79887312) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one
PubChem CID79887312
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one
SMILESCC(NCCN1C(=O)C(C)(C)S1(=O)=O)C1CCCO1
InChIInChI=1S/C12H22N2O4S/c1-9(10-5-4-8-18-10)13-6-7-14-11(15)12(2,3)19(14,16)17/h9-10,13H,4-8H2,1-3H3
InChIKeyMKUCJNSFYSEYLZ-UHFFFAOYSA-N
XLogP0.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one with MolForge

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Related Compounds

2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886614
1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
CID 62927199
4-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
CID 55152176
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
CID 114397448
N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 103428056
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62564636
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 63620007
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 104531118
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one (CID 79887312) is 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one is CC(NCCN1C(=O)C(C)(C)S1(=O)=O)C1CCCO1.
What is the InChIKey of 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one?
The InChIKey is MKUCJNSFYSEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9(10-5-4-8-18-10)13-6-7-14-11(15)12(2,3)19(14,16)17/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one?
4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one has a molecular weight of 290.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one is sourced from PubChem (CID 79887312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).