N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide

C13H22N2OS — CID 112688583

IUPACN-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(11-6-5-9-17-11)14-8-7-12(16)15-13(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyCREYKHMYULYZBL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.70
Rot. Bonds5

About N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide

N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide (PubChem CID 112688583) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
PubChem CID112688583
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(11-6-5-9-17-11)14-8-7-12(16)15-13(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyCREYKHMYULYZBL-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 81409137
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
CID 115721127
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide (CID 112688583) is N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide is CC(NCCC(=O)NC(C)(C)C)c1cccs1.
What is the InChIKey of N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide?
The InChIKey is CREYKHMYULYZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(11-6-5-9-17-11)14-8-7-12(16)15-13(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide?
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 112688583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).