N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide

C6H14N2OS2 — CID 10012874

IUPACN-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide
SMILESO=C(CNCCS)NCCS
InChIInChI=1S/C6H14N2OS2/c9-6(8-2-4-11)5-7-1-3-10/h7,10-11H,1-5H2,(H,8,9)
InChIKeyDUFJOYNZMOTOBH-UHFFFAOYSA-N
MW194.32 g/mol
LogP-0.45
Rot. Bonds6

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

N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide (PubChem CID 10012874) has the molecular formula C6H14N2OS2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide
PubChem CID10012874
Molecular FormulaC6H14N2OS2
Molecular Weight194.32 g/mol
Exact Mass194.05
IUPAC NameN-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide
SMILESO=C(CNCCS)NCCS
InChIInChI=1S/C6H14N2OS2/c9-6(8-2-4-11)5-7-1-3-10/h7,10-11H,1-5H2,(H,8,9)
InChIKeyDUFJOYNZMOTOBH-UHFFFAOYSA-N
XLogP-0.45
TPSA41.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide?
The IUPAC name of N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide (CID 10012874) is N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide.
What is the SMILES notation for N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide?
The canonical SMILES for N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide is O=C(CNCCS)NCCS.
What is the InChIKey of N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide?
The InChIKey is DUFJOYNZMOTOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS2/c9-6(8-2-4-11)5-7-1-3-10/h7,10-11H,1-5H2,(H,8,9).
What are the key properties of N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide?
N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide has a molecular weight of 194.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)-2-(2-sulfanylethylamino)acetamide is sourced from PubChem (CID 10012874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).