2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

C16H25N3OS — CID 81452018

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccccc2SC)CCC1N
InChIInChI=1S/C16H25N3OS/c1-3-12-10-19(9-8-13(12)17)11-16(20)18-14-6-4-5-7-15(14)21-2/h4-7,12-13H,3,8-11,17H2,1-2H3,(H,18,20)
InChIKeyRWLNVVVMUMMBJJ-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.41
Rot. Bonds5

About 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 81452018) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID81452018
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccccc2SC)CCC1N
InChIInChI=1S/C16H25N3OS/c1-3-12-10-19(9-8-13(12)17)11-16(20)18-14-6-4-5-7-15(14)21-2/h4-7,12-13H,3,8-11,17H2,1-2H3,(H,18,20)
InChIKeyRWLNVVVMUMMBJJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
CID 81452753
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 81452927
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 81459153
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
2-[1-[2-(2-methylsulfanylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618693
2-(4-amino-3-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 81451256
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (CID 81452018) is 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is CCC1CN(CC(=O)Nc2ccccc2SC)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is RWLNVVVMUMMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-12-10-19(9-8-13(12)17)11-16(20)18-14-6-4-5-7-15(14)21-2/h4-7,12-13H,3,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 81452018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).