N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide

C11H20N2O4S — CID 90584430

IUPACN-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C11H20N2O4S/c1-16-5-4-12-9(14)10(15)13-7-11(17-2)3-6-18-8-11/h3-8H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyKTBQWAUREDRHMV-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.61
Rot. Bonds6

About N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide

N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide (PubChem CID 90584430) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
PubChem CID90584430
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C11H20N2O4S/c1-16-5-4-12-9(14)10(15)13-7-11(17-2)3-6-18-8-11/h3-8H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyKTBQWAUREDRHMV-UHFFFAOYSA-N
XLogP-0.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
CID 90584434
2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide
CID 90584234
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 124522785
N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide
CID 90584231
N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 97414772
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide
CID 90584455
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-N'-pyridin-3-yloxamide
CID 97414759
N-[(3-methoxythiolan-3-yl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 90584491
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
CID 71804880
3-(2-methoxyethylamino)thiolane-3-carboxylic acid
CID 61341762

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide (CID 90584430) is N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide is COCCNC(=O)C(=O)NCC1(OC)CCSC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
The InChIKey is KTBQWAUREDRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-16-5-4-12-9(14)10(15)13-7-11(17-2)3-6-18-8-11/h3-8H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide has a molecular weight of 276.36 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide is sourced from PubChem (CID 90584430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).