N-methyl-2-(sulfanylamino)acetamide

C3H8N2OS — CID 122659165

IUPACN-methyl-2-(sulfanylamino)acetamide
SMILESCNC(=O)CNS
InChIInChI=1S/C3H8N2OS/c1-4-3(6)2-5-7/h5,7H,2H2,1H3,(H,4,6)
InChIKeyWGRUCLKFJMZNIS-UHFFFAOYSA-N
MW120.18 g/mol
LogP-0.83
Rot. Bonds2

About N-methyl-2-(sulfanylamino)acetamide

N-methyl-2-(sulfanylamino)acetamide (PubChem CID 122659165) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is N-methyl-2-(sulfanylamino)acetamide.

Molecular Properties

Compound NameN-methyl-2-(sulfanylamino)acetamide
PubChem CID122659165
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC NameN-methyl-2-(sulfanylamino)acetamide
SMILESCNC(=O)CNS
InChIInChI=1S/C3H8N2OS/c1-4-3(6)2-5-7/h5,7H,2H2,1H3,(H,4,6)
InChIKeyWGRUCLKFJMZNIS-UHFFFAOYSA-N
XLogP-0.83
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-0.83
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 N-methyl-2-(sulfanylamino)acetamide?
The IUPAC name of N-methyl-2-(sulfanylamino)acetamide (CID 122659165) is N-methyl-2-(sulfanylamino)acetamide.
What is the SMILES notation for N-methyl-2-(sulfanylamino)acetamide?
The canonical SMILES for N-methyl-2-(sulfanylamino)acetamide is CNC(=O)CNS.
What is the InChIKey of N-methyl-2-(sulfanylamino)acetamide?
The InChIKey is WGRUCLKFJMZNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-4-3(6)2-5-7/h5,7H,2H2,1H3,(H,4,6).
What are the key properties of N-methyl-2-(sulfanylamino)acetamide?
N-methyl-2-(sulfanylamino)acetamide has a molecular weight of 120.18 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(sulfanylamino)acetamide is sourced from PubChem (CID 122659165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).