N-methyl-3-thiophen-3-ylpropanamide

C8H11NOS — CID 39958618

IUPACN-methyl-3-thiophen-3-ylpropanamide
SMILESCNC(=O)CCc1ccsc1
InChIInChI=1S/C8H11NOS/c1-9-8(10)3-2-7-4-5-11-6-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyHUUXKPZQUALPBW-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.43
Rot. Bonds3

About N-methyl-3-thiophen-3-ylpropanamide

N-methyl-3-thiophen-3-ylpropanamide (PubChem CID 39958618) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-thiophen-3-ylpropanamide
PubChem CID39958618
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-methyl-3-thiophen-3-ylpropanamide
SMILESCNC(=O)CCc1ccsc1
InChIInChI=1S/C8H11NOS/c1-9-8(10)3-2-7-4-5-11-6-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyHUUXKPZQUALPBW-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-methyl-3-thiophen-3-ylpropanamide (CID 39958618) is N-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-methyl-3-thiophen-3-ylpropanamide is CNC(=O)CCc1ccsc1.
What is the InChIKey of N-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is HUUXKPZQUALPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-9-8(10)3-2-7-4-5-11-6-7/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of N-methyl-3-thiophen-3-ylpropanamide?
N-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 169.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 39958618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).