N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide

C8H12N2OS — CID 55276292

IUPACN-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](C)N)s1
InChIInChI=1S/C8H12N2OS/c1-5(9)7-3-4-8(12-7)10-6(2)11/h3-5H,9H2,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyRDDHVPBJRGZEGF-RXMQYKEDSA-N
MW184.26 g/mol
LogP1.73
Rot. Bonds2

About N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide

N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide (PubChem CID 55276292) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide
PubChem CID55276292
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](C)N)s1
InChIInChI=1S/C8H12N2OS/c1-5(9)7-3-4-8(12-7)10-6(2)11/h3-5H,9H2,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyRDDHVPBJRGZEGF-RXMQYKEDSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide (CID 55276292) is N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc([C@@H](C)N)s1.
What is the InChIKey of N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide?
The InChIKey is RDDHVPBJRGZEGF-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(9)7-3-4-8(12-7)10-6(2)11/h3-5H,9H2,1-2H3,(H,10,11)/t5-/m1/s1.
What are the key properties of N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide?
N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide has a molecular weight of 184.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-1-aminoethyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 55276292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).