2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C10H19NO5S — CID 60747544

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCCOCCO
InChIInChI=1S/C10H19NO5S/c12-3-5-16-4-2-11-10(13)7-9-1-6-17(14,15)8-9/h9,12H,1-8H2,(H,11,13)
InChIKeyDAFKGSXOMHPMOQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP-1.06
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 60747544) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID60747544
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCCOCCO
InChIInChI=1S/C10H19NO5S/c12-3-5-16-4-2-11-10(13)7-9-1-6-17(14,15)8-9/h9,12H,1-8H2,(H,11,13)
InChIKeyDAFKGSXOMHPMOQ-UHFFFAOYSA-N
XLogP-1.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-pent-3-ynylacetamide
CID 115977379
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410
2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
CID 107299589
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-nitrophenoxy)ethyl]acetamide
CID 95234166
2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793519
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359
N-[2-(4-chlorophenyl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9268417
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
CID 154975000
3-cyclopentyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654438
2-(1,1-dioxothiolan-3-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65114161
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 60747544) is 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is O=C(CC1CCS(=O)(=O)C1)NCCOCCO.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is DAFKGSXOMHPMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c12-3-5-16-4-2-11-10(13)7-9-1-6-17(14,15)8-9/h9,12H,1-8H2,(H,11,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 265.33 g/mol, XLogP of -1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 60747544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).