N-formyl-N-methyl-2-methylsulfanylbutanamide

C7H13NO2S — CID 146207261

IUPACN-formyl-N-methyl-2-methylsulfanylbutanamide
SMILESCCC(SC)C(=O)N(C)C=O
InChIInChI=1S/C7H13NO2S/c1-4-6(11-3)7(10)8(2)5-9/h5-6H,4H2,1-3H3
InChIKeyHAJSRHIIWMYDDR-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.74
Rot. Bonds4

About N-formyl-N-methyl-2-methylsulfanylbutanamide

N-formyl-N-methyl-2-methylsulfanylbutanamide (PubChem CID 146207261) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-formyl-N-methyl-2-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-formyl-N-methyl-2-methylsulfanylbutanamide
PubChem CID146207261
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-formyl-N-methyl-2-methylsulfanylbutanamide
SMILESCCC(SC)C(=O)N(C)C=O
InChIInChI=1S/C7H13NO2S/c1-4-6(11-3)7(10)8(2)5-9/h5-6H,4H2,1-3H3
InChIKeyHAJSRHIIWMYDDR-UHFFFAOYSA-N
XLogP0.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-methyl-2-methylsulfanylbutanamide?
The IUPAC name of N-formyl-N-methyl-2-methylsulfanylbutanamide (CID 146207261) is N-formyl-N-methyl-2-methylsulfanylbutanamide.
What is the SMILES notation for N-formyl-N-methyl-2-methylsulfanylbutanamide?
The canonical SMILES for N-formyl-N-methyl-2-methylsulfanylbutanamide is CCC(SC)C(=O)N(C)C=O.
What is the InChIKey of N-formyl-N-methyl-2-methylsulfanylbutanamide?
The InChIKey is HAJSRHIIWMYDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-6(11-3)7(10)8(2)5-9/h5-6H,4H2,1-3H3.
What are the key properties of N-formyl-N-methyl-2-methylsulfanylbutanamide?
N-formyl-N-methyl-2-methylsulfanylbutanamide has a molecular weight of 175.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methyl-2-methylsulfanylbutanamide is sourced from PubChem (CID 146207261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).