[4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid

C14H16N4O6S — CID 139536215

IUPAC[4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
SMILESCC(=O)Nc1cc(CNC(=O)O)sc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H16N4O6S/c1-6(19)16-9-4-7(5-15-14(23)24)25-11(9)13(22)17-8-2-3-10(20)18-12(8)21/h4,8,15H,2-3,5H2,1H3,(H,16,19)(H,17,22)(H,23,24)(H,18,20,21)
InChIKeySSIZECRFMCSOAT-UHFFFAOYSA-N
MW368.37 g/mol
LogP0.01
Rot. Bonds5

About [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid

[4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid (PubChem CID 139536215) has the molecular formula C14H16N4O6S and a molecular weight of 368.37 g/mol. Its IUPAC name is [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
PubChem CID139536215
Molecular FormulaC14H16N4O6S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name[4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
SMILESCC(=O)Nc1cc(CNC(=O)O)sc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H16N4O6S/c1-6(19)16-9-4-7(5-15-14(23)24)25-11(9)13(22)17-8-2-3-10(20)18-12(8)21/h4,8,15H,2-3,5H2,1H3,(H,16,19)(H,17,22)(H,23,24)(H,18,20,21)
InChIKeySSIZECRFMCSOAT-UHFFFAOYSA-N
XLogP0.01
TPSA153.70 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
The IUPAC name of [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid (CID 139536215) is [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid.
What is the SMILES notation for [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
The canonical SMILES for [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid is CC(=O)Nc1cc(CNC(=O)O)sc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
The InChIKey is SSIZECRFMCSOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O6S/c1-6(19)16-9-4-7(5-15-14(23)24)25-11(9)13(22)17-8-2-3-10(20)18-12(8)21/h4,8,15H,2-3,5H2,1H3,(H,16,19)(H,17,22)(H,23,24)(H,18,20,21).
What are the key properties of [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
[4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid has a molecular weight of 368.37 g/mol, XLogP of 0.01, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid is sourced from PubChem (CID 139536215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).