N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide

C10H20N2O2S — CID 5058591

IUPACN-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide
SMILESCCNC(=O)CCSCCC(=O)NCC
InChIInChI=1S/C10H20N2O2S/c1-3-11-9(13)5-7-15-8-6-10(14)12-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyVHDSZXAELFJBOZ-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.77
Rot. Bonds8

About N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide

N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide (PubChem CID 5058591) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide
PubChem CID5058591
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide
SMILESCCNC(=O)CCSCCC(=O)NCC
InChIInChI=1S/C10H20N2O2S/c1-3-11-9(13)5-7-15-8-6-10(14)12-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyVHDSZXAELFJBOZ-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide (CID 5058591) is N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide is CCNC(=O)CCSCCC(=O)NCC.
What is the InChIKey of N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide?
The InChIKey is VHDSZXAELFJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-11-9(13)5-7-15-8-6-10(14)12-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide?
N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide has a molecular weight of 232.35 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 5058591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).