2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide

C11H18N2OS — CID 115188778

IUPAC2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide
SMILESCCC(CNC)C(=O)Nc1sccc1C
InChIInChI=1S/C11H18N2OS/c1-4-9(7-12-3)10(14)13-11-8(2)5-6-15-11/h5-6,9,12H,4,7H2,1-3H3,(H,13,14)
InChIKeyIMOQFMJFNOTSNH-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.24
Rot. Bonds5

About 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide

2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide (PubChem CID 115188778) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide
PubChem CID115188778
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide
SMILESCCC(CNC)C(=O)Nc1sccc1C
InChIInChI=1S/C11H18N2OS/c1-4-9(7-12-3)10(14)13-11-8(2)5-6-15-11/h5-6,9,12H,4,7H2,1-3H3,(H,13,14)
InChIKeyIMOQFMJFNOTSNH-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(3-methylthiophen-2-yl)acetamide
CID 115151897
2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115188725
3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide
CID 115153529
N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide
CID 115188720
N-(3-methylthiophen-2-yl)-3-oxobutanamide
CID 115176235
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
N'-(3-methylthiophen-2-yl)oxamide
CID 115191626
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
CID 115188762
2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115188767
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one
CID 116923949
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide?
The IUPAC name of 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide (CID 115188778) is 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide is CCC(CNC)C(=O)Nc1sccc1C.
What is the InChIKey of 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide?
The InChIKey is IMOQFMJFNOTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-9(7-12-3)10(14)13-11-8(2)5-6-15-11/h5-6,9,12H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide?
2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 115188778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).