N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide

C10H19NO4S — CID 88982905

IUPACN-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=CCCOCCOCCNC(=O)CCS
InChIInChI=1S/C10H19NO4S/c12-4-1-5-14-7-8-15-6-3-11-10(13)2-9-16/h4,16H,1-3,5-9H2,(H,11,13)
InChIKeyYLRBZAZKLUAHTO-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.04
Rot. Bonds11

About N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide

N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 88982905) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID88982905
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=CCCOCCOCCNC(=O)CCS
InChIInChI=1S/C10H19NO4S/c12-4-1-5-14-7-8-15-6-3-11-10(13)2-9-16/h4,16H,1-3,5-9H2,(H,11,13)
InChIKeyYLRBZAZKLUAHTO-UHFFFAOYSA-N
XLogP0.04
TPSA64.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 57182546
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
CID 126759423
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 177342211
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide (CID 88982905) is N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide is O=CCCOCCOCCNC(=O)CCS.
What is the InChIKey of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is YLRBZAZKLUAHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-4-1-5-14-7-8-15-6-3-11-10(13)2-9-16/h4,16H,1-3,5-9H2,(H,11,13).
What are the key properties of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 249.33 g/mol, XLogP of 0.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 88982905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).