2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide

C11H18N2OS — CID 60962460

IUPAC2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)N)s1
InChIInChI=1S/C11H18N2OS/c1-7-5-6-10(15-7)9(3)13(4)11(14)8(2)12/h5-6,8-9H,12H2,1-4H3
InChIKeyPHOHYHGYLKJHCI-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide

2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 60962460) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
PubChem CID60962460
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)N)s1
InChIInChI=1S/C11H18N2OS/c1-7-5-6-10(15-7)9(3)13(4)11(14)8(2)12/h5-6,8-9H,12H2,1-4H3
InChIKeyPHOHYHGYLKJHCI-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (CID 60962460) is 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is Cc1ccc(C(C)N(C)C(=O)C(C)N)s1.
What is the InChIKey of 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is PHOHYHGYLKJHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-5-6-10(15-7)9(3)13(4)11(14)8(2)12/h5-6,8-9H,12H2,1-4H3.
What are the key properties of 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 60962460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).