2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide

C8H16N2O4S — CID 106236546

IUPAC2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O4S/c9-8(11)5-14-3-2-10-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H2,9,11)
InChIKeyVVIKTSZPPDVAOE-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.74
Rot. Bonds6

About 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide

2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide (PubChem CID 106236546) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
PubChem CID106236546
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O4S/c9-8(11)5-14-3-2-10-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H2,9,11)
InChIKeyVVIKTSZPPDVAOE-UHFFFAOYSA-N
XLogP-1.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.74
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

1,1-dioxo-N-(2-prop-2-enoxyethyl)thiolan-3-amine
CID 62572213
2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
CID 106235196
2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
CID 106235673
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
2-[2-[(4-propan-2-ylcyclohexyl)amino]ethoxy]acetamide
CID 106236541
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
2-[2-[(4-methylcycloheptyl)amino]ethoxy]acetamide
CID 106235412
2-[2-[(1,1-dioxothiolan-3-yl)carbamoylamino]ethoxy]acetic acid
CID 79464186
N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 55092912
2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
CID 114162148

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide (CID 106236546) is 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide is NC(=O)COCCNC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide?
The InChIKey is VVIKTSZPPDVAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c9-8(11)5-14-3-2-10-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H2,9,11).
What are the key properties of 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide?
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide has a molecular weight of 236.29 g/mol, XLogP of -1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106236546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).