2-(methylamino)-N-(2-sulfanylethyl)acetamide

C5H12N2OS — CID 23187564

IUPAC2-(methylamino)-N-(2-sulfanylethyl)acetamide
SMILESCNCC(=O)NCCS
InChIInChI=1S/C5H12N2OS/c1-6-4-5(8)7-2-3-9/h6,9H,2-4H2,1H3,(H,7,8)
InChIKeyFVSNCPQLSBMYCZ-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.75
Rot. Bonds4

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

2-(methylamino)-N-(2-sulfanylethyl)acetamide (PubChem CID 23187564) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-sulfanylethyl)acetamide
PubChem CID23187564
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-(methylamino)-N-(2-sulfanylethyl)acetamide
SMILESCNCC(=O)NCCS
InChIInChI=1S/C5H12N2OS/c1-6-4-5(8)7-2-3-9/h6,9H,2-4H2,1H3,(H,7,8)
InChIKeyFVSNCPQLSBMYCZ-UHFFFAOYSA-N
XLogP-0.75
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.75
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-(methylamino)-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(2-sulfanylethyl)acetamide (CID 23187564) is 2-(methylamino)-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(2-sulfanylethyl)acetamide is CNCC(=O)NCCS.
What is the InChIKey of 2-(methylamino)-N-(2-sulfanylethyl)acetamide?
The InChIKey is FVSNCPQLSBMYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-6-4-5(8)7-2-3-9/h6,9H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-(methylamino)-N-(2-sulfanylethyl)acetamide?
2-(methylamino)-N-(2-sulfanylethyl)acetamide has a molecular weight of 148.23 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 23187564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).