N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide

C9H11NO2S — CID 22925209

IUPACN,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide
SMILESCN(C)C(=O)CC(=O)c1cccs1
InChIInChI=1S/C9H11NO2S/c1-10(2)9(12)6-7(11)8-4-3-5-13-8/h3-5H,6H2,1-2H3
InChIKeyDKOISNDYPZSOIM-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.41
Rot. Bonds3

About N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide

N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide (PubChem CID 22925209) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide
PubChem CID22925209
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide
SMILESCN(C)C(=O)CC(=O)c1cccs1
InChIInChI=1S/C9H11NO2S/c1-10(2)9(12)6-7(11)8-4-3-5-13-8/h3-5H,6H2,1-2H3
InChIKeyDKOISNDYPZSOIM-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-Propanone, 3-(1-pyrrolidinyl)-1-(2-thienyl)-
CID 224019
3-(Dimethylamino)-1-(2-thienyl)-1-propanone
CID 408257
3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
CID 2876891
3-[2-Hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231876
2-Thiophenecarboxamide, N,N-dimethyl-
CID 141583
2-(1-Methylpiperidin-2-yl)-1-thiophen-2-ylethanone
CID 44349982
3-[Butyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231873
Thiophene,2-(N,N-diMe acetamido)
CID 4632589
Ethanone, 2-(1-methyl-2-pyrrolidinyl)-1-(2-thienyl)-
CID 53440
1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)-
CID 3063268
1-Propanone, 3-(methylamino)-1-(2-thienyl)-, hydrochloride (1:1)
CID 10035872
3-(1,1-Dimethylpiperidin-1-ium-2-yl)-1-thiophen-2-ylpropan-1-one
CID 44349879

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide?
The IUPAC name of N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide (CID 22925209) is N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide?
The canonical SMILES for N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide is CN(C)C(=O)CC(=O)c1cccs1.
What is the InChIKey of N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide?
The InChIKey is DKOISNDYPZSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10(2)9(12)6-7(11)8-4-3-5-13-8/h3-5H,6H2,1-2H3.
What are the key properties of N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide?
N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide has a molecular weight of 197.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 22925209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).