N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide

C14H28N2O5S — CID 126759423

IUPACN-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
SMILESO=CNCCCOCCOCCOCCCNC(=O)CCS
InChIInChI=1S/C14H28N2O5S/c17-13-15-4-1-6-19-8-10-21-11-9-20-7-2-5-16-14(18)3-12-22/h13,22H,1-12H2,(H,15,17)(H,16,18)
InChIKeyGRVWRUPOMVHULT-UHFFFAOYSA-N
MW336.45 g/mol
LogP-0.00
Rot. Bonds17

About N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide

N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide (PubChem CID 126759423) has the molecular formula C14H28N2O5S and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
PubChem CID126759423
Molecular FormulaC14H28N2O5S
Molecular Weight336.45 g/mol
Exact Mass336.17
IUPAC NameN-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
SMILESO=CNCCCOCCOCCOCCCNC(=O)CCS
InChIInChI=1S/C14H28N2O5S/c17-13-15-4-1-6-19-8-10-21-11-9-20-7-2-5-16-14(18)3-12-22/h13,22H,1-12H2,(H,15,17)(H,16,18)
InChIKeyGRVWRUPOMVHULT-UHFFFAOYSA-N
XLogP-0.00
TPSA85.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 5-0.00
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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Related Compounds

N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
N-[2-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 57182546
3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid
CID 135199713
N-[11-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]undecyl]-3-sulfanylpropanamide
CID 87856363
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide
CID 101252962
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
CID 170054090
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide?
The IUPAC name of N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide (CID 126759423) is N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide is O=CNCCCOCCOCCOCCCNC(=O)CCS.
What is the InChIKey of N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide?
The InChIKey is GRVWRUPOMVHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5S/c17-13-15-4-1-6-19-8-10-21-11-9-20-7-2-5-16-14(18)3-12-22/h13,22H,1-12H2,(H,15,17)(H,16,18).
What are the key properties of N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide?
N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide has a molecular weight of 336.45 g/mol, XLogP of -0.00, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide is sourced from PubChem (CID 126759423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).