N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide

C12H20N2OS — CID 81486253

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)C(C)(CN)NC(=O)Cc1ccsc1
InChIInChI=1S/C12H20N2OS/c1-9(2)12(3,8-13)14-11(15)6-10-4-5-16-7-10/h4-5,7,9H,6,8,13H2,1-3H3,(H,14,15)
InChIKeyFLPQPOGYDYAKCL-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.78
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 81486253) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
PubChem CID81486253
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)C(C)(CN)NC(=O)Cc1ccsc1
InChIInChI=1S/C12H20N2OS/c1-9(2)12(3,8-13)14-11(15)6-10-4-5-16-7-10/h4-5,7,9H,6,8,13H2,1-3H3,(H,14,15)
InChIKeyFLPQPOGYDYAKCL-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
CID 116600113
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115968855
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
CID 61118996
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide (CID 81486253) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide is CC(C)C(C)(CN)NC(=O)Cc1ccsc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is FLPQPOGYDYAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)12(3,8-13)14-11(15)6-10-4-5-16-7-10/h4-5,7,9H,6,8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 240.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 81486253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).