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

C10H14N2O5S2 — CID 81040838

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCC2CCCS2(=O)=O)c[nH]1
InChIInChI=1S/C10H14N2O5S2/c13-10-4-3-9(6-11-10)19(16,17)12-7-8-2-1-5-18(8,14)15/h3-4,6,8,12H,1-2,5,7H2,(H,11,13)
InChIKeyDWTNHXYJTZUQSH-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.77
Rot. Bonds4

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

N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 81040838) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID81040838
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCC2CCCS2(=O)=O)c[nH]1
InChIInChI=1S/C10H14N2O5S2/c13-10-4-3-9(6-11-10)19(16,17)12-7-8-2-1-5-18(8,14)15/h3-4,6,8,12H,1-2,5,7H2,(H,11,13)
InChIKeyDWTNHXYJTZUQSH-UHFFFAOYSA-N
XLogP-0.77
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81039629
N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 81040530
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 81039346
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077
N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55013696
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54905708
N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114148556
2-bromo-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]benzenesulfonamide
CID 97321593
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 81040484
3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 81042057
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103171663

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 81040838) is N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCC2CCCS2(=O)=O)c[nH]1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DWTNHXYJTZUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c13-10-4-3-9(6-11-10)19(16,17)12-7-8-2-1-5-18(8,14)15/h3-4,6,8,12H,1-2,5,7H2,(H,11,13).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 306.37 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 81040838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).