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

C12H24N2O5S — CID 164575858

IUPACN-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=CNCCOCCOCCOCCNC(=O)CCS
InChIInChI=1S/C12H24N2O5S/c15-11-13-2-4-17-6-8-19-9-7-18-5-3-14-12(16)1-10-20/h11,20H,1-10H2,(H,13,15)(H,14,16)
InChIKeyQOVHNXIZZNSLDI-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.78
Rot. Bonds15

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

N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 164575858) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID164575858
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC NameN-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=CNCCOCCOCCOCCNC(=O)CCS
InChIInChI=1S/C12H24N2O5S/c15-11-13-2-4-17-6-8-19-9-7-18-5-3-14-12(16)1-10-20/h11,20H,1-10H2,(H,13,15)(H,14,16)
InChIKeyQOVHNXIZZNSLDI-UHFFFAOYSA-N
XLogP-0.78
TPSA85.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide (CID 164575858) is N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide is O=CNCCOCCOCCOCCNC(=O)CCS.
What is the InChIKey of N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is QOVHNXIZZNSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c15-11-13-2-4-17-6-8-19-9-7-18-5-3-14-12(16)1-10-20/h11,20H,1-10H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 308.40 g/mol, XLogP of -0.78, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 164575858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).