[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate

C14H16N4O6S — CID 175140127

IUPAC[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1COC(N)=O
InChIInChI=1S/C14H16N4O6S/c1-6(19)16-11-7(5-25-9(11)4-24-14(15)23)12(21)17-8-2-3-10(20)18-13(8)22/h5,8H,2-4H2,1H3,(H2,15,23)(H,16,19)(H,17,21)(H,18,20,22)
InChIKeyLCRCPKXHTUPKAZ-UHFFFAOYSA-N
MW368.37 g/mol
LogP-0.16
Rot. Bonds5

About [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate

[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate (PubChem CID 175140127) has the molecular formula C14H16N4O6S and a molecular weight of 368.37 g/mol. Its IUPAC name is [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate.

Molecular Properties

Compound Name[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate
PubChem CID175140127
Molecular FormulaC14H16N4O6S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1COC(N)=O
InChIInChI=1S/C14H16N4O6S/c1-6(19)16-11-7(5-25-9(11)4-24-14(15)23)12(21)17-8-2-3-10(20)18-13(8)22/h5,8H,2-4H2,1H3,(H2,15,23)(H,16,19)(H,17,21)(H,18,20,22)
InChIKeyLCRCPKXHTUPKAZ-UHFFFAOYSA-N
XLogP-0.16
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate?
The IUPAC name of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate (CID 175140127) is [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate.
What is the SMILES notation for [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate?
The canonical SMILES for [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate is CC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1COC(N)=O.
What is the InChIKey of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate?
The InChIKey is LCRCPKXHTUPKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O6S/c1-6(19)16-11-7(5-25-9(11)4-24-14(15)23)12(21)17-8-2-3-10(20)18-13(8)22/h5,8H,2-4H2,1H3,(H2,15,23)(H,16,19)(H,17,21)(H,18,20,22).
What are the key properties of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate?
[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate has a molecular weight of 368.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate is sourced from PubChem (CID 175140127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).