3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide

C10H16N2O2S — CID 106435391

IUPAC3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
SMILESCC(CN)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-7(4-11)10(14)12-5-9(13)8-2-3-15-6-8/h2-3,6-7,9,13H,4-5,11H2,1H3,(H,12,14)
InChIKeyPLVVBCCYMRIWIP-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.49
Rot. Bonds5

About 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide

3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide (PubChem CID 106435391) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
PubChem CID106435391
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
SMILESCC(CN)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-7(4-11)10(14)12-5-9(13)8-2-3-15-6-8/h2-3,6-7,9,13H,4-5,11H2,1H3,(H,12,14)
InChIKeyPLVVBCCYMRIWIP-UHFFFAOYSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 119798622
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 111441578
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414
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
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide (CID 106435391) is 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide is CC(CN)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide?
The InChIKey is PLVVBCCYMRIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(4-11)10(14)12-5-9(13)8-2-3-15-6-8/h2-3,6-7,9,13H,4-5,11H2,1H3,(H,12,14).
What are the key properties of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide?
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide has a molecular weight of 228.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide is sourced from PubChem (CID 106435391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).