4-methoxy-N-(2-methylsulfanylethyl)butanamide

C8H17NO2S — CID 59404541

IUPAC4-methoxy-N-(2-methylsulfanylethyl)butanamide
SMILESCOCCCC(=O)NCCSC
InChIInChI=1S/C8H17NO2S/c1-11-6-3-4-8(10)9-5-7-12-2/h3-7H2,1-2H3,(H,9,10)
InChIKeySXHYRUFESPRLAX-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.89
Rot. Bonds7

About 4-methoxy-N-(2-methylsulfanylethyl)butanamide

4-methoxy-N-(2-methylsulfanylethyl)butanamide (PubChem CID 59404541) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylsulfanylethyl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylsulfanylethyl)butanamide
PubChem CID59404541
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-methoxy-N-(2-methylsulfanylethyl)butanamide
SMILESCOCCCC(=O)NCCSC
InChIInChI=1S/C8H17NO2S/c1-11-6-3-4-8(10)9-5-7-12-2/h3-7H2,1-2H3,(H,9,10)
InChIKeySXHYRUFESPRLAX-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylsulfanylethyl)butanamide?
The IUPAC name of 4-methoxy-N-(2-methylsulfanylethyl)butanamide (CID 59404541) is 4-methoxy-N-(2-methylsulfanylethyl)butanamide.
What is the SMILES notation for 4-methoxy-N-(2-methylsulfanylethyl)butanamide?
The canonical SMILES for 4-methoxy-N-(2-methylsulfanylethyl)butanamide is COCCCC(=O)NCCSC.
What is the InChIKey of 4-methoxy-N-(2-methylsulfanylethyl)butanamide?
The InChIKey is SXHYRUFESPRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-11-6-3-4-8(10)9-5-7-12-2/h3-7H2,1-2H3,(H,9,10).
What are the key properties of 4-methoxy-N-(2-methylsulfanylethyl)butanamide?
4-methoxy-N-(2-methylsulfanylethyl)butanamide has a molecular weight of 191.30 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylsulfanylethyl)butanamide is sourced from PubChem (CID 59404541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).