(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid

C14H18N2O5S — CID 166253691

IUPAC(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](NS(=O)(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C14H18N2O5S/c17-14(18)12-9-13(11-4-2-1-3-10(11)12)15-22(19,20)16-5-7-21-8-6-16/h1-4,12-13,15H,5-9H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyDEYATDBEJHZEKW-OLZOCXBDSA-N
MW326.37 g/mol
LogP0.47
Rot. Bonds4

About (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid

(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 166253691) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID166253691
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](NS(=O)(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C14H18N2O5S/c17-14(18)12-9-13(11-4-2-1-3-10(11)12)15-22(19,20)16-5-7-21-8-6-16/h1-4,12-13,15H,5-9H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyDEYATDBEJHZEKW-OLZOCXBDSA-N
XLogP0.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid (CID 166253691) is (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)[C@@H]1C[C@H](NS(=O)(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is DEYATDBEJHZEKW-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18N2O5S/c17-14(18)12-9-13(11-4-2-1-3-10(11)12)15-22(19,20)16-5-7-21-8-6-16/h1-4,12-13,15H,5-9H2,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid?
(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 166253691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).