3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid

C14H17NO5S — CID 64888670

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc3c(c2)CCC3)CCOC1
InChIInChI=1S/C14H17NO5S/c16-13(17)14(6-7-20-9-14)15-21(18,19)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,15H,1-3,6-7,9H2,(H,16,17)
InChIKeyDOWZXDBWRMPXKG-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.70
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid

3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid (PubChem CID 64888670) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid
PubChem CID64888670
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc3c(c2)CCC3)CCOC1
InChIInChI=1S/C14H17NO5S/c16-13(17)14(6-7-20-9-14)15-21(18,19)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,15H,1-3,6-7,9H2,(H,16,17)
InChIKeyDOWZXDBWRMPXKG-UHFFFAOYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid (CID 64888670) is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc3c(c2)CCC3)CCOC1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid?
The InChIKey is DOWZXDBWRMPXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c16-13(17)14(6-7-20-9-14)15-21(18,19)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,15H,1-3,6-7,9H2,(H,16,17).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid?
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64888670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).