3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide

C13H20N2OS — CID 115272118

IUPAC3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide
SMILESCNCC1(CNC(=O)c2sccc2C)CCC1
InChIInChI=1S/C13H20N2OS/c1-10-4-7-17-11(10)12(16)15-9-13(8-14-2)5-3-6-13/h4,7,14H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyIPJUPAGTBRLIKZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.18
Rot. Bonds5

About 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide

3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide (PubChem CID 115272118) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide
PubChem CID115272118
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide
SMILESCNCC1(CNC(=O)c2sccc2C)CCC1
InChIInChI=1S/C13H20N2OS/c1-10-4-7-17-11(10)12(16)15-9-13(8-14-2)5-3-6-13/h4,7,14H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyIPJUPAGTBRLIKZ-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide 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

N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide
CID 115183696
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide (CID 115272118) is 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide is CNCC1(CNC(=O)c2sccc2C)CCC1.
What is the InChIKey of 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide?
The InChIKey is IPJUPAGTBRLIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-4-7-17-11(10)12(16)15-9-13(8-14-2)5-3-6-13/h4,7,14H,3,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide?
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115272118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).