3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide

C9H13NO2S — CID 115139118

IUPAC3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCN(Cc1cccs1)C(=O)CCO
InChIInChI=1S/C9H13NO2S/c1-10(9(12)4-5-11)7-8-3-2-6-13-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyLFJUPQLANUOEFQ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.09
Rot. Bonds4

About 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide

3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 115139118) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID115139118
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCN(Cc1cccs1)C(=O)CCO
InChIInChI=1S/C9H13NO2S/c1-10(9(12)4-5-11)7-8-3-2-6-13-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyLFJUPQLANUOEFQ-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62022578
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 61374959
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613694
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide (CID 115139118) is 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide is CN(Cc1cccs1)C(=O)CCO.
What is the InChIKey of 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is LFJUPQLANUOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-10(9(12)4-5-11)7-8-3-2-6-13-8/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide?
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 199.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 115139118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).