1-[5-(aminomethyl)thiophen-2-yl]ethanone

C7H9NOS — CID 20531515

IUPAC1-[5-(aminomethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CN)s1
InChIInChI=1S/C7H9NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,4,8H2,1H3
InChIKeyKBGRHHZNPOCLKT-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.41
Rot. Bonds2

About 1-[5-(aminomethyl)thiophen-2-yl]ethanone

1-[5-(aminomethyl)thiophen-2-yl]ethanone (PubChem CID 20531515) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-[5-(aminomethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)thiophen-2-yl]ethanone
PubChem CID20531515
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-[5-(aminomethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CN)s1
InChIInChI=1S/C7H9NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,4,8H2,1H3
InChIKeyKBGRHHZNPOCLKT-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiophenecarboxamide
CID 22063
N-[(5-Acetyl-2-thienyl)methyl]acetamide
CID 7131592
2-Amino-1-(thiophen-2-yl)ethan-1-one hydrochloride
CID 12609833
2-Amino-1-(thiophen-2-yl)propan-1-one
CID 573473
1-Propanone, 3-(methylamino)-1-(2-thienyl)-, hydrochloride (1:1)
CID 10035872
3-Amino-1-(thiophen-2-yl)butan-1-one hydrochloride
CID 68922794
3-(Methylamino)-1-(thiophen-2-yl)propan-1-one
CID 10035873
5-Acetylthiophene-2-carboxamide
CID 18938025
5-(Trifluoroacetyl)thiophene-2-carboxamide
CID 67315313
5-Methylthiophene-2-carbonyl azide
CID 11564531
4-Amino-1-(thiophen-2-yl)butan-1-one hydrochloride
CID 165944108
3-(Ethylamino)-1-(thiophen-2-yl)propan-1-one
CID 10464976

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]ethanone (CID 20531515) is 1-[5-(aminomethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(aminomethyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(CN)s1.
What is the InChIKey of 1-[5-(aminomethyl)thiophen-2-yl]ethanone?
The InChIKey is KBGRHHZNPOCLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,4,8H2,1H3.
What are the key properties of 1-[5-(aminomethyl)thiophen-2-yl]ethanone?
1-[5-(aminomethyl)thiophen-2-yl]ethanone has a molecular weight of 155.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 20531515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).