N-(2,3-dihydrothiophen-5-ylmethyl)propanamide

C8H13NOS — CID 89102981

IUPACN-(2,3-dihydrothiophen-5-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCCS1
InChIInChI=1S/C8H13NOS/c1-2-8(10)9-6-7-4-3-5-11-7/h4H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyOEWAVKIUECDQSF-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.53
Rot. Bonds3

About N-(2,3-dihydrothiophen-5-ylmethyl)propanamide

N-(2,3-dihydrothiophen-5-ylmethyl)propanamide (PubChem CID 89102981) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is N-(2,3-dihydrothiophen-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydrothiophen-5-ylmethyl)propanamide
PubChem CID89102981
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC NameN-(2,3-dihydrothiophen-5-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCCS1
InChIInChI=1S/C8H13NOS/c1-2-8(10)9-6-7-4-3-5-11-7/h4H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyOEWAVKIUECDQSF-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydrothiophen-5-ylmethyl)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 N-(2,3-dihydrothiophen-5-ylmethyl)propanamide?
The IUPAC name of N-(2,3-dihydrothiophen-5-ylmethyl)propanamide (CID 89102981) is N-(2,3-dihydrothiophen-5-ylmethyl)propanamide.
What is the SMILES notation for N-(2,3-dihydrothiophen-5-ylmethyl)propanamide?
The canonical SMILES for N-(2,3-dihydrothiophen-5-ylmethyl)propanamide is CCC(=O)NCC1=CCCS1.
What is the InChIKey of N-(2,3-dihydrothiophen-5-ylmethyl)propanamide?
The InChIKey is OEWAVKIUECDQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-8(10)9-6-7-4-3-5-11-7/h4H,2-3,5-6H2,1H3,(H,9,10).
What are the key properties of N-(2,3-dihydrothiophen-5-ylmethyl)propanamide?
N-(2,3-dihydrothiophen-5-ylmethyl)propanamide has a molecular weight of 171.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrothiophen-5-ylmethyl)propanamide is sourced from PubChem (CID 89102981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).