N-acetyl-N-(2-sulfanylethyl)butanamide

C8H15NO2S — CID 22569025

IUPACN-acetyl-N-(2-sulfanylethyl)butanamide
SMILESCCCC(=O)N(CCS)C(C)=O
InChIInChI=1S/C8H15NO2S/c1-3-4-8(11)9(5-6-12)7(2)10/h12H,3-6H2,1-2H3
InChIKeyIXZRINZHHHXQNI-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.09
Rot. Bonds4

About N-acetyl-N-(2-sulfanylethyl)butanamide

N-acetyl-N-(2-sulfanylethyl)butanamide (PubChem CID 22569025) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-acetyl-N-(2-sulfanylethyl)butanamide.

Molecular Properties

Compound NameN-acetyl-N-(2-sulfanylethyl)butanamide
PubChem CID22569025
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-acetyl-N-(2-sulfanylethyl)butanamide
SMILESCCCC(=O)N(CCS)C(C)=O
InChIInChI=1S/C8H15NO2S/c1-3-4-8(11)9(5-6-12)7(2)10/h12H,3-6H2,1-2H3
InChIKeyIXZRINZHHHXQNI-UHFFFAOYSA-N
XLogP1.09
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
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-acetyl-N-(2-sulfanylethyl)butanamide?
The IUPAC name of N-acetyl-N-(2-sulfanylethyl)butanamide (CID 22569025) is N-acetyl-N-(2-sulfanylethyl)butanamide.
What is the SMILES notation for N-acetyl-N-(2-sulfanylethyl)butanamide?
The canonical SMILES for N-acetyl-N-(2-sulfanylethyl)butanamide is CCCC(=O)N(CCS)C(C)=O.
What is the InChIKey of N-acetyl-N-(2-sulfanylethyl)butanamide?
The InChIKey is IXZRINZHHHXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-4-8(11)9(5-6-12)7(2)10/h12H,3-6H2,1-2H3.
What are the key properties of N-acetyl-N-(2-sulfanylethyl)butanamide?
N-acetyl-N-(2-sulfanylethyl)butanamide has a molecular weight of 189.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-sulfanylethyl)butanamide is sourced from PubChem (CID 22569025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).