5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid

C12H13N3O5S — CID 114612958

IUPAC5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)O2)cn1
InChIInChI=1S/C12H13N3O5S/c13-5-8-1-3-10(7-14-8)21(18,19)15-6-9-2-4-11(20-9)12(16)17/h1,3,7,9,11,15H,2,4,6H2,(H,16,17)
InChIKeyHMTGKMPTUZNRSF-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.14
Rot. Bonds5

About 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid

5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 114612958) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
PubChem CID114612958
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)O2)cn1
InChIInChI=1S/C12H13N3O5S/c13-5-8-1-3-10(7-14-8)21(18,19)15-6-9-2-4-11(20-9)12(16)17/h1,3,7,9,11,15H,2,4,6H2,(H,16,17)
InChIKeyHMTGKMPTUZNRSF-UHFFFAOYSA-N
XLogP-0.14
TPSA129.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Fluoro-2-methoxy-5-(3-sulfamoyl-2-pyridinyl)pentanoic acid
CID 118310918
5-[[(5-Fluoro-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 80011384
5-[[(3-Fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 103298872
(2R,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfonylamino]oxolane-2-carboxylic acid
CID 166242165
5-[(2-Pyridin-2-ylethylsulfonylamino)methyl]oxolane-2-carboxylic acid
CID 80004291
5-[(2-Pyridin-4-ylethylsulfonylamino)methyl]oxolane-2-carboxylic acid
CID 80004292
5-[[(2-Cyano-4-pyridinyl)amino]methyl]oxolane-2-carboxylic acid
CID 80006994
5-[[(5-Bromo-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 80010635
5-[[(2-Chloro-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 80011098
5-[(Pyridin-3-ylsulfonylamino)methyl]oxolane-2-carboxylic acid
CID 80011241
5-[[(2-Cyano-3-pyridinyl)amino]methyl]oxolane-2-carboxylic acid
CID 81594631
4-[(6-Cyano-3-pyridinyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153507

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid (CID 114612958) is 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid is N#Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)O2)cn1.
What is the InChIKey of 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is HMTGKMPTUZNRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c13-5-8-1-3-10(7-14-8)21(18,19)15-6-9-2-4-11(20-9)12(16)17/h1,3,7,9,11,15H,2,4,6H2,(H,16,17).
What are the key properties of 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-cyano-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 114612958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).