4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide

C10H15NO2S — CID 79201475

IUPAC4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCN(Cc1cccs1)C(=O)CCCO
InChIInChI=1S/C10H15NO2S/c1-11(10(13)5-2-6-12)8-9-4-3-7-14-9/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyJGKZPUJIYVERAA-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.48
Rot. Bonds5

About 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide

4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 79201475) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID79201475
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCN(Cc1cccs1)C(=O)CCCO
InChIInChI=1S/C10H15NO2S/c1-11(10(13)5-2-6-12)8-9-4-3-7-14-9/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyJGKZPUJIYVERAA-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62022578
2-[cyclobutyl(3-hydroxypropyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 102848345
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 61374959

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide (CID 79201475) is 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide is CN(Cc1cccs1)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is JGKZPUJIYVERAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-11(10(13)5-2-6-12)8-9-4-3-7-14-9/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide?
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 213.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 79201475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).