N-formyl-N-methyl-3-sulfanylidenepropanamide

C5H7NO2S — CID 123392324

IUPACN-formyl-N-methyl-3-sulfanylidenepropanamide
SMILESCN(C=O)C(=O)CC=S
InChIInChI=1S/C5H7NO2S/c1-6(4-7)5(8)2-3-9/h3-4H,2H2,1H3
InChIKeyRSHJGIDMKGVAQJ-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.01
Rot. Bonds3

About N-formyl-N-methyl-3-sulfanylidenepropanamide

N-formyl-N-methyl-3-sulfanylidenepropanamide (PubChem CID 123392324) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is N-formyl-N-methyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound NameN-formyl-N-methyl-3-sulfanylidenepropanamide
PubChem CID123392324
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC NameN-formyl-N-methyl-3-sulfanylidenepropanamide
SMILESCN(C=O)C(=O)CC=S
InChIInChI=1S/C5H7NO2S/c1-6(4-7)5(8)2-3-9/h3-4H,2H2,1H3
InChIKeyRSHJGIDMKGVAQJ-UHFFFAOYSA-N
XLogP-0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-formyl-N-methylacetamide
CID 174934557
N-formyl-N,3-dimethylpentanamide
CID 142974327
3-sulfanylidenepropanoate
CID 22288105
N-(dimethylcarbamoselenoyl)-N-methylformamide
CID 59108194
N-formyl-N-methylcyclopropanecarboxamide
CID 89047170
4-[formyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91384066
dichloromethane;N,N-dimethylformamide;propan-2-one
CID 172808068
N,N-dimethylformamide;sulfur monoxide
CID 87147971
N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide
CID 167513488
N-formyl-N-methyl-2-methylsulfanylbutanamide
CID 146207261
N-formyl-N-hydroxypropanamide
CID 88931883
N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-methyl-3-sulfanylidenepropanamide?
The IUPAC name of N-formyl-N-methyl-3-sulfanylidenepropanamide (CID 123392324) is N-formyl-N-methyl-3-sulfanylidenepropanamide.
What is the SMILES notation for N-formyl-N-methyl-3-sulfanylidenepropanamide?
The canonical SMILES for N-formyl-N-methyl-3-sulfanylidenepropanamide is CN(C=O)C(=O)CC=S.
What is the InChIKey of N-formyl-N-methyl-3-sulfanylidenepropanamide?
The InChIKey is RSHJGIDMKGVAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-6(4-7)5(8)2-3-9/h3-4H,2H2,1H3.
What are the key properties of N-formyl-N-methyl-3-sulfanylidenepropanamide?
N-formyl-N-methyl-3-sulfanylidenepropanamide has a molecular weight of 145.18 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 123392324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).