4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one

C10H18N2O3S — CID 79887369

IUPAC4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one
SMILESCC1(C)C(=O)N(CCC2CCNC2)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-10(2)9(13)12(16(10,14)15)6-4-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeySKGPDXGPTJVQAI-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.06
Rot. Bonds3

About 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one

4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one (PubChem CID 79887369) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one
PubChem CID79887369
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one
SMILESCC1(C)C(=O)N(CCC2CCNC2)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-10(2)9(13)12(16(10,14)15)6-4-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeySKGPDXGPTJVQAI-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one
CID 114956280
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
4-methyl-2-(2-pyrrolidin-3-ylethyl)-1,2,4-triazol-3-one
CID 130987404
2-[4-(cyclopropylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887402
2-(2-pyrrolidin-3-ylethyl)-1,2-oxazolidin-3-one
CID 105441242
3,3-dimethyl-4-(2-piperidin-3-ylethyl)piperazin-2-one
CID 63596839
4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one
CID 167762843
2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one
CID 83857019
2-amino-5,5-bis(cyclohexylmethyl)-3-(2-pyrrolidin-3-ylethyl)imidazol-4-one
CID 70326286
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116982754

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one (CID 79887369) is 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one is CC1(C)C(=O)N(CCC2CCNC2)S1(=O)=O.
What is the InChIKey of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one?
The InChIKey is SKGPDXGPTJVQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(2)9(13)12(16(10,14)15)6-4-8-3-5-11-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one?
4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one has a molecular weight of 246.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)thiazetidin-3-one is sourced from PubChem (CID 79887369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).