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

C10H16N2O2S — CID 106435392

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-7(11-2)10(14)12-5-9(13)8-3-4-15-6-8/h3-4,6-7,9,11,13H,5H2,1-2H3,(H,12,14)
InChIKeyPBMKDMADPQJDRV-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.51
Rot. Bonds5

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

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide (PubChem CID 106435392) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
PubChem CID106435392
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-7(11-2)10(14)12-5-9(13)8-3-4-15-6-8/h3-4,6-7,9,11,13H,5H2,1-2H3,(H,12,14)
InChIKeyPBMKDMADPQJDRV-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 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 ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
CID 106434973
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 111441578
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
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide (CID 106435392) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide is CNC(C)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide?
The InChIKey is PBMKDMADPQJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(11-2)10(14)12-5-9(13)8-3-4-15-6-8/h3-4,6-7,9,11,13H,5H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide has a molecular weight of 228.32 g/mol, XLogP of 0.51, 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)propanamide is sourced from PubChem (CID 106435392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).