N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide

C11H14N2O3S — CID 5188007

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O3S/c1-13(10-4-7-17(15,16)8-10)11(14)9-2-5-12-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyDFMBMIGPFVXMDW-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.34
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide (PubChem CID 5188007) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
PubChem CID5188007
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O3S/c1-13(10-4-7-17(15,16)8-10)11(14)9-2-5-12-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyDFMBMIGPFVXMDW-UHFFFAOYSA-N
XLogP0.34
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide (CID 5188007) is N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is DFMBMIGPFVXMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-13(10-4-7-17(15,16)8-10)11(14)9-2-5-12-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 5188007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).