[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid

C14H14N4O5S — CID 146345278

IUPAC[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid
SMILESCc1nc2c(CNC(=O)O)scc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O5S/c1-6-16-11-7(5-24-9(11)4-15-14(22)23)13(21)18(6)8-2-3-10(19)17-12(8)20/h5,8,15H,2-4H2,1H3,(H,22,23)(H,17,19,20)
InChIKeyDFILEWFCQWEFMX-UHFFFAOYSA-N
MW350.36 g/mol
LogP0.51
Rot. Bonds3

About [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid

[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid (PubChem CID 146345278) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid
PubChem CID146345278
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC Name[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid
SMILESCc1nc2c(CNC(=O)O)scc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O5S/c1-6-16-11-7(5-24-9(11)4-15-14(22)23)13(21)18(6)8-2-3-10(19)17-12(8)20/h5,8,15H,2-4H2,1H3,(H,22,23)(H,17,19,20)
InChIKeyDFILEWFCQWEFMX-UHFFFAOYSA-N
XLogP0.51
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 50.51
H-Bond Donors ≤ 53
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-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid?
The IUPAC name of [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid (CID 146345278) is [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid.
What is the SMILES notation for [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid?
The canonical SMILES for [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid is Cc1nc2c(CNC(=O)O)scc2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid?
The InChIKey is DFILEWFCQWEFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-6-16-11-7(5-24-9(11)4-15-14(22)23)13(21)18(6)8-2-3-10(19)17-12(8)20/h5,8,15H,2-4H2,1H3,(H,22,23)(H,17,19,20).
What are the key properties of [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid?
[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid has a molecular weight of 350.36 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid is sourced from PubChem (CID 146345278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).