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

C12H15N3O3S — CID 167431046

IUPACN-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide
SMILESCNc1sccc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H15N3O3S/c1-13-12-7(4-5-19-12)6-10(17)14-8-2-3-9(16)15-11(8)18/h4-5,8,13H,2-3,6H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyBPXWSMQWYGFCDU-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.25
Rot. Bonds4

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

N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide (PubChem CID 167431046) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide
PubChem CID167431046
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide
SMILESCNc1sccc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H15N3O3S/c1-13-12-7(4-5-19-12)6-10(17)14-8-2-3-9(16)15-11(8)18/h4-5,8,13H,2-3,6H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyBPXWSMQWYGFCDU-UHFFFAOYSA-N
XLogP0.25
TPSA87.30 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 ≤ 50.25
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

2-acetamido-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408625
2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431021
3-Thiophen-3-ylpiperazin-2-one
CID 62352453
N-(2,6-Dioxo-3-piperidinyl)-2-(methylamino)-3-thiophenecarboxamide
CID 156408736
N-(2,6-dioxopiperidin-3-yl)-5,8-dihydro-4H-thieno[2,3-b]azepine-3-carboxamide
CID 156438425
N-(2,6-dioxopiperidin-3-yl)-5-(ethenylamino)-4-propylthiophene-3-carboxamide
CID 156744916
N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide
CID 156744972
2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide
CID 156745040
3-[(5-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720392
3-[(4-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720792
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431022

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide (CID 167431046) is N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide is CNc1sccc1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide?
The InChIKey is BPXWSMQWYGFCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-13-12-7(4-5-19-12)6-10(17)14-8-2-3-9(16)15-11(8)18/h4-5,8,13H,2-3,6H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide?
N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide has a molecular weight of 281.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide is sourced from PubChem (CID 167431046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).