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

C10H20N2O5S — CID 115475841

IUPAC2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCCNCC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-10(2)9(14)12(18(10,15)16)7-8(13)6-11-4-5-17-3/h8,11,13H,4-7H2,1-3H3
InChIKeyWBHGTKODXQQTLM-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.47
Rot. Bonds7

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

2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 115475841) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID115475841
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCCNCC(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-10(2)9(14)12(18(10,15)16)7-8(13)6-11-4-5-17-3/h8,11,13H,4-7H2,1-3H3
InChIKeyWBHGTKODXQQTLM-UHFFFAOYSA-N
XLogP-1.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 115475841) is 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is COCCNCC(O)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is WBHGTKODXQQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-10(2)9(14)12(18(10,15)16)7-8(13)6-11-4-5-17-3/h8,11,13H,4-7H2,1-3H3.
What are the key properties of 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 280.35 g/mol, XLogP of -1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 115475841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).