N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide

C12H19NO2S — CID 71983514

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-12(2,15)9-13(3)11(14)5-4-10-6-7-16-8-10/h6-8,15H,4-5,9H2,1-3H3
InChIKeyWQSGGGUUKAIDIE-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.91
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide (PubChem CID 71983514) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide
PubChem CID71983514
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-12(2,15)9-13(3)11(14)5-4-10-6-7-16-8-10/h6-8,15H,4-5,9H2,1-3H3
InChIKeyWQSGGGUUKAIDIE-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-3-thiophen-3-ylpropanamide
CID 45828613
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-thiophen-3-ylpropanamide
CID 72015453
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137648267
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137655034
1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145966010
1-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145975442
1-Pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
CID 155562244
1-Piperidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 39958563
N-(2-cyclopropyl-2-hydroxypropyl)-2-(thiophen-3-yl)acetamide
CID 76147752
N-[(S)-2-hydroxy-2-methyl-3-(methylthio)propyl](3-thienyl)acetamide
CID 99695736
1-(4-Methyl-1,4-diazepan-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39952100
1-(Azocan-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39952105

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide (CID 71983514) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide is CN(CC(C)(C)O)C(=O)CCc1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is WQSGGGUUKAIDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,15)9-13(3)11(14)5-4-10-6-7-16-8-10/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 71983514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).