N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide

C10H16N2OS — CID 130605613

IUPACN-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](N)C(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-6(2)10(11)8-4-5-9(14-8)12-7(3)13/h4-6,10H,11H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyJZJKWLRPUVCGTA-JTQLQIEISA-N
MW212.32 g/mol
LogP2.36
Rot. Bonds3

About N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide

N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide (PubChem CID 130605613) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide
PubChem CID130605613
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](N)C(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-6(2)10(11)8-4-5-9(14-8)12-7(3)13/h4-6,10H,11H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyJZJKWLRPUVCGTA-JTQLQIEISA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid
CID 55272746
5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79252074
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
N-(5-methylsulfonylthiophen-2-yl)acetamide
CID 21340923
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
methyl 2-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylpentanoate
CID 43409333
5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 65036927
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444
5-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 43572932
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154369
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide (CID 130605613) is N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc([C@@H](N)C(C)C)s1.
What is the InChIKey of N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide?
The InChIKey is JZJKWLRPUVCGTA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)10(11)8-4-5-9(14-8)12-7(3)13/h4-6,10H,11H2,1-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide?
N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide has a molecular weight of 212.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 130605613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).