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

C11H18N2O2S — CID 106435414

IUPAC2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-3-11(2,12)10(15)13-6-9(14)8-4-5-16-7-8/h4-5,7,9,14H,3,6,12H2,1-2H3,(H,13,15)
InChIKeyGEBZYQRJKZATFT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.03
Rot. Bonds5

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

2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide (PubChem CID 106435414) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
PubChem CID106435414
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-3-11(2,12)10(15)13-6-9(14)8-4-5-16-7-8/h4-5,7,9,14H,3,6,12H2,1-2H3,(H,13,15)
InChIKeyGEBZYQRJKZATFT-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 120593036
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
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
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
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide (CID 106435414) is 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide is CCC(C)(N)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide?
The InChIKey is GEBZYQRJKZATFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-11(2,12)10(15)13-6-9(14)8-4-5-16-7-8/h4-5,7,9,14H,3,6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide?
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide has a molecular weight of 242.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide is sourced from PubChem (CID 106435414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).