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

C11H18N2OS — CID 65244115

IUPAC2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(C)c(C)s1
InChIInChI=1S/C11H18N2OS/c1-7-5-10(15-9(7)3)6-13-8(2)11(14)12-4/h5,8,13H,6H2,1-4H3,(H,12,14)
InChIKeyUTAYMXYKOZIVMZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.59
Rot. Bonds4

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

2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide (PubChem CID 65244115) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
PubChem CID65244115
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(C)c(C)s1
InChIInChI=1S/C11H18N2OS/c1-7-5-10(15-9(7)3)6-13-8(2)11(14)12-4/h5,8,13H,6H2,1-4H3,(H,12,14)
InChIKeyUTAYMXYKOZIVMZ-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
N-cyclopentyl-2-[(4,5-dimethylthiophen-2-yl)methylamino]propanamide
CID 65244170
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65246415
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 65246063
[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 65246401
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide
CID 65245641
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
CID 65241720

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide (CID 65244115) is 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide?
The InChIKey is UTAYMXYKOZIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-5-10(15-9(7)3)6-13-8(2)11(14)12-4/h5,8,13H,6H2,1-4H3,(H,12,14).
What are the key properties of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide?
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide has a molecular weight of 226.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 65244115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).