2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid

C11H14N2O5S — CID 63654102

IUPAC2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H14N2O5S/c14-11(15)9-4-1-5-12-10(9)13-19(16,17)7-8-3-2-6-18-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)(H,14,15)
InChIKeyDBIFHKPYIZMTKG-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.70
Rot. Bonds5

About 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid

2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid (PubChem CID 63654102) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid
PubChem CID63654102
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H14N2O5S/c14-11(15)9-4-1-5-12-10(9)13-19(16,17)7-8-3-2-6-18-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)(H,14,15)
InChIKeyDBIFHKPYIZMTKG-UHFFFAOYSA-N
XLogP0.70
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113391859
2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 65157572
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
2-[[(2S)-oxolan-2-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 40605283
N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65098715
5-chloro-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 136562330
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
3-[6-(oxolan-2-ylmethylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 76988941
2-[4-(oxolan-2-ylmethylsulfonylamino)phenyl]acetic acid
CID 63246519
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
2-(oxolan-2-ylmethylsulfonyl)pyridin-3-amine
CID 61367073
2-(oxan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 43241352

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid (CID 63654102) is 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1NS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid?
The InChIKey is DBIFHKPYIZMTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-11(15)9-4-1-5-12-10(9)13-19(16,17)7-8-3-2-6-18-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid?
2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63654102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).