N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide

C11H14N2O4S — CID 47226840

IUPACN-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ncccc1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O4S/c1-17-11-9(3-2-5-12-11)13-10(14)8-4-6-18(15,16)7-8/h2-3,5,8H,4,6-7H2,1H3,(H,13,14)
InChIKeyQLHQJXWESNPFDZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.46
Rot. Bonds3

About N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide

N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 47226840) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID47226840
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ncccc1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O4S/c1-17-11-9(3-2-5-12-11)13-10(14)8-4-6-18(15,16)7-8/h2-3,5,8H,4,6-7H2,1H3,(H,13,14)
InChIKeyQLHQJXWESNPFDZ-UHFFFAOYSA-N
XLogP0.46
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide (CID 47226840) is N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide is COc1ncccc1NC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is QLHQJXWESNPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-17-11-9(3-2-5-12-11)13-10(14)8-4-6-18(15,16)7-8/h2-3,5,8H,4,6-7H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 47226840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).