2-(ethylamino)-N-(2-sulfanylethyl)acetamide

C6H14N2OS — CID 23187649

IUPAC2-(ethylamino)-N-(2-sulfanylethyl)acetamide
SMILESCCNCC(=O)NCCS
InChIInChI=1S/C6H14N2OS/c1-2-7-5-6(9)8-3-4-10/h7,10H,2-5H2,1H3,(H,8,9)
InChIKeyXRHTXTNFFJUCEW-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.36
Rot. Bonds5

About 2-(ethylamino)-N-(2-sulfanylethyl)acetamide

2-(ethylamino)-N-(2-sulfanylethyl)acetamide (PubChem CID 23187649) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-sulfanylethyl)acetamide
PubChem CID23187649
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-(ethylamino)-N-(2-sulfanylethyl)acetamide
SMILESCCNCC(=O)NCCS
InChIInChI=1S/C6H14N2OS/c1-2-7-5-6(9)8-3-4-10/h7,10H,2-5H2,1H3,(H,8,9)
InChIKeyXRHTXTNFFJUCEW-UHFFFAOYSA-N
XLogP-0.36
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
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 2-(ethylamino)-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(2-sulfanylethyl)acetamide (CID 23187649) is 2-(ethylamino)-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(2-sulfanylethyl)acetamide is CCNCC(=O)NCCS.
What is the InChIKey of 2-(ethylamino)-N-(2-sulfanylethyl)acetamide?
The InChIKey is XRHTXTNFFJUCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-2-7-5-6(9)8-3-4-10/h7,10H,2-5H2,1H3,(H,8,9).
What are the key properties of 2-(ethylamino)-N-(2-sulfanylethyl)acetamide?
2-(ethylamino)-N-(2-sulfanylethyl)acetamide has a molecular weight of 162.26 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 23187649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).