N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide

C12H20N2OS — CID 104536070

IUPACN,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-9(10-6-5-7-16-10)14-8-12(2,3)11(15)13-4/h5-7,9,14H,8H2,1-4H3,(H,13,15)
InChIKeyYLRXGDDVOQBYBG-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.17
Rot. Bonds5

About N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide

N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide (PubChem CID 104536070) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
PubChem CID104536070
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-9(10-6-5-7-16-10)14-8-12(2,3)11(15)13-4/h5-7,9,14H,8H2,1-4H3,(H,13,15)
InChIKeyYLRXGDDVOQBYBG-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 81409137
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide (CID 104536070) is N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide is CNC(=O)C(C)(C)CNC(C)c1cccs1.
What is the InChIKey of N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide?
The InChIKey is YLRXGDDVOQBYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(10-6-5-7-16-10)14-8-12(2,3)11(15)13-4/h5-7,9,14H,8H2,1-4H3,(H,13,15).
What are the key properties of N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide?
N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide has a molecular weight of 240.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 104536070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).