2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide

C10H16N2OS — CID 131043496

IUPAC2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
SMILESCCC(C)(N)C(=O)Nc1cscc1C
InChIInChI=1S/C10H16N2OS/c1-4-10(3,11)9(13)12-8-6-14-5-7(8)2/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyJJGUYLMEEMKGAE-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide

2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide (PubChem CID 131043496) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
PubChem CID131043496
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
SMILESCCC(C)(N)C(=O)Nc1cscc1C
InChIInChI=1S/C10H16N2OS/c1-4-10(3,11)9(13)12-8-6-14-5-7(8)2/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyJJGUYLMEEMKGAE-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide?
The IUPAC name of 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide (CID 131043496) is 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide?
The canonical SMILES for 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide is CCC(C)(N)C(=O)Nc1cscc1C.
What is the InChIKey of 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide?
The InChIKey is JJGUYLMEEMKGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-10(3,11)9(13)12-8-6-14-5-7(8)2/h5-6H,4,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide?
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide has a molecular weight of 212.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide is sourced from PubChem (CID 131043496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).