2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C11H22N2O4S — CID 79886435

IUPAC2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCCNCCCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-11(2)10(14)13(18(11,15)16)8-5-4-6-12-7-9-17-3/h12H,4-9H2,1-3H3
InChIKeyYOTBMELTTDMOPS-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds8

About 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886435) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886435
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCCNCCCCN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-11(2)10(14)13(18(11,15)16)8-5-4-6-12-7-9-17-3/h12H,4-9H2,1-3H3
InChIKeyYOTBMELTTDMOPS-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-2-methoxy-1-methylethyl]-1-mesyl-3-azetidinecarboxamide
CID 95377113
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
CID 155405417
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen
CID 155750770
N-(2-methoxyethyl)-3,3-dimethyl-4-(methylsulfamoyl)butanamide
CID 156372546
2-methyl-N-[2-[2-(propan-2-ylsulfonylamino)ethoxy]ethyl]propanamide
CID 178488252
N-[2-(2-aminoethoxy)ethyl]-2-methyl-2-methylsulfonylpropanamide
CID 64012857
N-(1-methoxypropan-2-yl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785461
2-(4-Aminobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79875082
4,4-Dimethyl-2-(morpholin-2-ylmethyl)-1,1-dioxothiazetidin-3-one
CID 79886071
2-[2-(1-Methoxypropan-2-ylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886087
4,4-Dimethyl-1,1-dioxo-2-(2-piperidin-4-yloxyethyl)thiazetidin-3-one
CID 79886148
2-[2-(4-Ethoxybutylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886354

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886435) is 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is COCCNCCCCN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is YOTBMELTTDMOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-11(2)10(14)13(18(11,15)16)8-5-4-6-12-7-9-17-3/h12H,4-9H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 278.37 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylamino)butyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).