3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride

C12H21ClN2OS — CID 119727869

IUPAC3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C(C)(C)CN)s1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-4-9-5-6-10(16-9)7-14-11(15)12(2,3)8-13;/h5-6H,4,7-8,13H2,1-3H3,(H,14,15);1H
InChIKeyLMFOWUSGTKRWCM-UHFFFAOYSA-N
MW276.83 g/mol
LogP2.33
Rot. Bonds5

About 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119727869) has the molecular formula C12H21ClN2OS and a molecular weight of 276.83 g/mol. Its IUPAC name is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119727869
Molecular FormulaC12H21ClN2OS
Molecular Weight276.83 g/mol
Exact Mass276.11
IUPAC Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C(C)(C)CN)s1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-4-9-5-6-10(16-9)7-14-11(15)12(2,3)8-13;/h5-6H,4,7-8,13H2,1-3H3,(H,14,15);1H
InChIKeyLMFOWUSGTKRWCM-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 81489224
3-amino-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119679292
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857
2-[[(5-ethylthiophen-2-yl)methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 106005588
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide
CID 106011392
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 119727871
2-[tert-butyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005579

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride (CID 119727869) is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride is CCc1ccc(CNC(=O)C(C)(C)CN)s1.Cl.
What is the InChIKey of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is LMFOWUSGTKRWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.ClH/c1-4-9-5-6-10(16-9)7-14-11(15)12(2,3)8-13;/h5-6H,4,7-8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 276.83 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119727869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).