3-(thiolan-2-yl)propanamide

C7H13NOS — CID 57258272

IUPAC3-(thiolan-2-yl)propanamide
SMILESNC(=O)CCC1CCCS1
InChIInChI=1S/C7H13NOS/c8-7(9)4-3-6-2-1-5-10-6/h6H,1-5H2,(H2,8,9)
InChIKeyJOXFGJBRSDTDIT-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.15
Rot. Bonds3

About 3-(thiolan-2-yl)propanamide

3-(thiolan-2-yl)propanamide (PubChem CID 57258272) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(thiolan-2-yl)propanamide.

Molecular Properties

Compound Name3-(thiolan-2-yl)propanamide
PubChem CID57258272
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-(thiolan-2-yl)propanamide
SMILESNC(=O)CCC1CCCS1
InChIInChI=1S/C7H13NOS/c8-7(9)4-3-6-2-1-5-10-6/h6H,1-5H2,(H2,8,9)
InChIKeyJOXFGJBRSDTDIT-UHFFFAOYSA-N
XLogP1.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(thiolan-2-yl)propanamide 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 3-(thiolan-2-yl)propanamide?
The IUPAC name of 3-(thiolan-2-yl)propanamide (CID 57258272) is 3-(thiolan-2-yl)propanamide.
What is the SMILES notation for 3-(thiolan-2-yl)propanamide?
The canonical SMILES for 3-(thiolan-2-yl)propanamide is NC(=O)CCC1CCCS1.
What is the InChIKey of 3-(thiolan-2-yl)propanamide?
The InChIKey is JOXFGJBRSDTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c8-7(9)4-3-6-2-1-5-10-6/h6H,1-5H2,(H2,8,9).
What are the key properties of 3-(thiolan-2-yl)propanamide?
3-(thiolan-2-yl)propanamide has a molecular weight of 159.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)propanamide is sourced from PubChem (CID 57258272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).