N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C11H14N2O4S — CID 114040333

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1cccc(=O)[nH]1
InChIInChI=1S/C11H14N2O4S/c14-10-3-1-2-9(13-10)11(15)12-6-8-4-5-18(16,17)7-8/h1-3,8H,4-7H2,(H,12,15)(H,13,14)
InChIKeyGAOKLQNPINUIOO-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.46
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040333) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040333
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1cccc(=O)[nH]1
InChIInChI=1S/C11H14N2O4S/c14-10-3-1-2-9(13-10)11(15)12-6-8-4-5-18(16,17)7-8/h1-3,8H,4-7H2,(H,12,15)(H,13,14)
InChIKeyGAOKLQNPINUIOO-UHFFFAOYSA-N
XLogP-0.46
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106122042
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 94020775
5-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94006807
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 99960135
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 99960130
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94040968
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
2-amino-6-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 63659868
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 114040333) is N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NCC1CCS(=O)(=O)C1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is GAOKLQNPINUIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-10-3-1-2-9(13-10)11(15)12-6-8-4-5-18(16,17)7-8/h1-3,8H,4-7H2,(H,12,15)(H,13,14).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 270.31 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).