N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide

C9H14N2O2S — CID 103812170

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C9H14N2O2S/c1-10-5-9(13)11-4-8(12)7-2-3-14-6-7/h2-3,6,8,10,12H,4-5H2,1H3,(H,11,13)
InChIKeyYJLFKFJGONEWJQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.12
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide (PubChem CID 103812170) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
PubChem CID103812170
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C9H14N2O2S/c1-10-5-9(13)11-4-8(12)7-2-3-14-6-7/h2-3,6,8,10,12H,4-5H2,1H3,(H,11,13)
InChIKeyYJLFKFJGONEWJQ-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 111441285
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
CID 103771643

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide (CID 103812170) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide is CNCC(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide?
The InChIKey is YJLFKFJGONEWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-5-9(13)11-4-8(12)7-2-3-14-6-7/h2-3,6,8,10,12H,4-5H2,1H3,(H,11,13).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide is sourced from PubChem (CID 103812170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).