N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide

C11H14N2O3S — CID 47156864

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1cccnc1
InChIInChI=1S/C11H14N2O3S/c14-11(10-2-1-4-12-7-10)13-6-9-3-5-17(15,16)8-9/h1-2,4,7,9H,3,5-6,8H2,(H,13,14)
InChIKeyRXLLYYZSZVGTEY-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.25
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 47156864) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
PubChem CID47156864
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1cccnc1
InChIInChI=1S/C11H14N2O3S/c14-11(10-2-1-4-12-7-10)13-6-9-3-5-17(15,16)8-9/h1-2,4,7,9H,3,5-6,8H2,(H,13,14)
InChIKeyRXLLYYZSZVGTEY-UHFFFAOYSA-N
XLogP0.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81242593
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163988
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
6-(dimethylamino)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyridine-3-carboxamide
CID 94093510
2-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-4-carboxamide
CID 114326143
1-benzyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94006503
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029
N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
CID 113067780
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 94006565
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide (CID 47156864) is N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide is O=C(NCC1CCS(=O)(=O)C1)c1cccnc1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RXLLYYZSZVGTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-11(10-2-1-4-12-7-10)13-6-9-3-5-17(15,16)8-9/h1-2,4,7,9H,3,5-6,8H2,(H,13,14).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47156864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).