2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide

C14H20N2OS — CID 81167247

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CC2(CN)CCC2)c1
InChIInChI=1S/C14H20N2OS/c1-18-12-5-2-4-11(8-12)16-13(17)9-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-10,15H2,1H3,(H,16,17)
InChIKeyJSCCBNLITHUITC-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.87
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 81167247) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID81167247
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CC2(CN)CCC2)c1
InChIInChI=1S/C14H20N2OS/c1-18-12-5-2-4-11(8-12)16-13(17)9-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-10,15H2,1H3,(H,16,17)
InChIKeyJSCCBNLITHUITC-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
CID 81171958
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 104677669
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide (CID 81167247) is 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CC2(CN)CCC2)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is JSCCBNLITHUITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-12-5-2-4-11(8-12)16-13(17)9-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-10,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 264.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 81167247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).