N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide

C12H20N2OS — CID 65241720

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-8-6-10(16-9(8)2)7-14-11(15)12(3,4)13-5/h6,13H,7H2,1-5H3,(H,14,15)
InChIKeyFQGKQEAHGLTSMP-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.98
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 65241720) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
PubChem CID65241720
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-8-6-10(16-9(8)2)7-14-11(15)12(3,4)13-5/h6,13H,7H2,1-5H3,(H,14,15)
InChIKeyFQGKQEAHGLTSMP-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 65244056
2-methyl-2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62846936
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 65245781
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031355
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65241400
2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
CID 79348993
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide
CID 65241174

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide (CID 65241720) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is FQGKQEAHGLTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-6-10(16-9(8)2)7-14-11(15)12(3,4)13-5/h6,13H,7H2,1-5H3,(H,14,15).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 240.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 65241720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).