2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H18N2O3S — CID 103072705

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESC=C(CNCC)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-5-11-6-8(2)7-12-9(13)10(3,4)16(12,14)15/h11H,2,5-7H2,1,3-4H3
InChIKeyWSMDOQARVHRZBK-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.10
Rot. Bonds5

About 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 103072705) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID103072705
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESC=C(CNCC)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-5-11-6-8(2)7-12-9(13)10(3,4)16(12,14)15/h11H,2,5-7H2,1,3-4H3
InChIKeyWSMDOQARVHRZBK-UHFFFAOYSA-N
XLogP0.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 103072705) is 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is C=C(CNCC)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is WSMDOQARVHRZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-5-11-6-8(2)7-12-9(13)10(3,4)16(12,14)15/h11H,2,5-7H2,1,3-4H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 246.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 103072705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).