N-(4-oxo-1-sulfanylpentan-3-yl)acetamide

C7H13NO2S — CID 59749671

IUPACN-(4-oxo-1-sulfanylpentan-3-yl)acetamide
SMILESCC(=O)NC(CCS)C(C)=O
InChIInChI=1S/C7H13NO2S/c1-5(9)7(3-4-11)8-6(2)10/h7,11H,3-4H2,1-2H3,(H,8,10)
InChIKeyLVOYWOZKYUIINI-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.40
Rot. Bonds4

About N-(4-oxo-1-sulfanylpentan-3-yl)acetamide

N-(4-oxo-1-sulfanylpentan-3-yl)acetamide (PubChem CID 59749671) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(4-oxo-1-sulfanylpentan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-1-sulfanylpentan-3-yl)acetamide
PubChem CID59749671
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-(4-oxo-1-sulfanylpentan-3-yl)acetamide
SMILESCC(=O)NC(CCS)C(C)=O
InChIInChI=1S/C7H13NO2S/c1-5(9)7(3-4-11)8-6(2)10/h7,11H,3-4H2,1-2H3,(H,8,10)
InChIKeyLVOYWOZKYUIINI-UHFFFAOYSA-N
XLogP0.40
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(4-oxo-1-sulfanylpentan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1-sulfanylpentan-3-yl)acetamide?
The IUPAC name of N-(4-oxo-1-sulfanylpentan-3-yl)acetamide (CID 59749671) is N-(4-oxo-1-sulfanylpentan-3-yl)acetamide.
What is the SMILES notation for N-(4-oxo-1-sulfanylpentan-3-yl)acetamide?
The canonical SMILES for N-(4-oxo-1-sulfanylpentan-3-yl)acetamide is CC(=O)NC(CCS)C(C)=O.
What is the InChIKey of N-(4-oxo-1-sulfanylpentan-3-yl)acetamide?
The InChIKey is LVOYWOZKYUIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5(9)7(3-4-11)8-6(2)10/h7,11H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N-(4-oxo-1-sulfanylpentan-3-yl)acetamide?
N-(4-oxo-1-sulfanylpentan-3-yl)acetamide has a molecular weight of 175.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1-sulfanylpentan-3-yl)acetamide is sourced from PubChem (CID 59749671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).