2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide

C8H14N2O5S — CID 79886254

IUPAC2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCO)S1(=O)=O
InChIInChI=1S/C8H14N2O5S/c1-8(2)7(13)10(16(8,14)15)5-6(12)9-3-4-11/h11H,3-5H2,1-2H3,(H,9,12)
InChIKeyJFUQBULASXGYND-UHFFFAOYSA-N
MW250.28 g/mol
LogP-1.95
Rot. Bonds4

About 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide

2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 79886254) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID79886254
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCO)S1(=O)=O
InChIInChI=1S/C8H14N2O5S/c1-8(2)7(13)10(16(8,14)15)5-6(12)9-3-4-11/h11H,3-5H2,1-2H3,(H,9,12)
InChIKeyJFUQBULASXGYND-UHFFFAOYSA-N
XLogP-1.95
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid
CID 79875452
2-[2-(2-Ethoxyethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886356
2-[3-(Ethylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887031
2-(3-Amino-2-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887122
2-[2-Hydroxy-3-(propylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887123
2-[2-Hydroxy-3-(methylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887210
2-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887211
2-[2-(2-Methoxyethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887398
2-[2-(2-Hydroxypropylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104594530
2-[3-(Tert-butylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 113317736
2-[2-Hydroxy-3-(2-methylpropylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 113317737
2-[2-Hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 115475841

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide (CID 79886254) is 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide is CC1(C)C(=O)N(CC(=O)NCCO)S1(=O)=O.
What is the InChIKey of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is JFUQBULASXGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-8(2)7(13)10(16(8,14)15)5-6(12)9-3-4-11/h11H,3-5H2,1-2H3,(H,9,12).
What are the key properties of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide?
2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 250.28 g/mol, XLogP of -1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 79886254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).