2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide

C12H15N3O3S — CID 167431058

IUPAC2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESNCc1csc(CC(=O)NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C12H15N3O3S/c13-5-7-3-8(19-6-7)4-11(17)14-9-1-2-10(16)15-12(9)18/h3,6,9H,1-2,4-5,13H2,(H,14,17)(H,15,16,18)
InChIKeyYPBOINLGGCAHCN-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.33
Rot. Bonds4

About 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide

2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431058) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431058
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESNCc1csc(CC(=O)NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C12H15N3O3S/c13-5-7-3-8(19-6-7)4-11(17)14-9-1-2-10(16)15-12(9)18/h3,6,9H,1-2,4-5,13H2,(H,14,17)(H,15,16,18)
InChIKeyYPBOINLGGCAHCN-UHFFFAOYSA-N
XLogP-0.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Tenilsetam
CID 65649
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4306436
N-butyl-2-methyl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 49790269
(4R,8aS)-4-thiophen-2-yl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 73354152
2-acetamido-N-benzyl-2-thiophen-2-ylacetamide
CID 14212838
2-acetamido-N-benzyl-2-thiophen-3-ylacetamide
CID 14522752
1-Piperazinecarboxamide, 3-oxo-2-(2-thienyl)-
CID 3070020
2-Phenyl-2-(thiophen-2-ylmethylamino)acetamide
CID 45863707
2-amino-N-benzyl-2-thiophen-2-ylacetamide
CID 60167998
N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 46943689
2-amino-1-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)pentan-1-one
CID 43650000

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431058) is 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide is NCc1csc(CC(=O)NC2CCC(=O)NC2=O)c1.
What is the InChIKey of 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is YPBOINLGGCAHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-5-7-3-8(19-6-7)4-11(17)14-9-1-2-10(16)15-12(9)18/h3,6,9H,1-2,4-5,13H2,(H,14,17)(H,15,16,18).
What are the key properties of 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 281.34 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)thiophen-2-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).