N',N'-diethyl-N-(2-sulfanylethyl)butanediamide

C10H20N2O2S — CID 19607280

IUPACN',N'-diethyl-N-(2-sulfanylethyl)butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NCCS
InChIInChI=1S/C10H20N2O2S/c1-3-12(4-2)10(14)6-5-9(13)11-7-8-15/h15H,3-8H2,1-2H3,(H,11,13)
InChIKeyNRZIZYGITGOXEU-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.68
Rot. Bonds7

About N',N'-diethyl-N-(2-sulfanylethyl)butanediamide

N',N'-diethyl-N-(2-sulfanylethyl)butanediamide (PubChem CID 19607280) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-sulfanylethyl)butanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-sulfanylethyl)butanediamide
PubChem CID19607280
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN',N'-diethyl-N-(2-sulfanylethyl)butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NCCS
InChIInChI=1S/C10H20N2O2S/c1-3-12(4-2)10(14)6-5-9(13)11-7-8-15/h15H,3-8H2,1-2H3,(H,11,13)
InChIKeyNRZIZYGITGOXEU-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-sulfanylethyl)butanediamide?
The IUPAC name of N',N'-diethyl-N-(2-sulfanylethyl)butanediamide (CID 19607280) is N',N'-diethyl-N-(2-sulfanylethyl)butanediamide.
What is the SMILES notation for N',N'-diethyl-N-(2-sulfanylethyl)butanediamide?
The canonical SMILES for N',N'-diethyl-N-(2-sulfanylethyl)butanediamide is CCN(CC)C(=O)CCC(=O)NCCS.
What is the InChIKey of N',N'-diethyl-N-(2-sulfanylethyl)butanediamide?
The InChIKey is NRZIZYGITGOXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-12(4-2)10(14)6-5-9(13)11-7-8-15/h15H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N',N'-diethyl-N-(2-sulfanylethyl)butanediamide?
N',N'-diethyl-N-(2-sulfanylethyl)butanediamide has a molecular weight of 232.35 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-sulfanylethyl)butanediamide is sourced from PubChem (CID 19607280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).