5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid

C12H18N2O6S — CID 79993346

IUPAC5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)NCc2ccc(C(=O)O)o2)CC(C)O1
InChIInChI=1S/C12H18N2O6S/c1-8-6-14(7-9(2)19-8)21(17,18)13-5-10-3-4-11(20-10)12(15)16/h3-4,8-9,13H,5-7H2,1-2H3,(H,15,16)
InChIKeyZUNPHTDHAXLMIZ-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.42
Rot. Bonds5

About 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid

5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid (PubChem CID 79993346) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
PubChem CID79993346
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)NCc2ccc(C(=O)O)o2)CC(C)O1
InChIInChI=1S/C12H18N2O6S/c1-8-6-14(7-9(2)19-8)21(17,18)13-5-10-3-4-11(20-10)12(15)16/h3-4,8-9,13H,5-7H2,1-2H3,(H,15,16)
InChIKeyZUNPHTDHAXLMIZ-UHFFFAOYSA-N
XLogP0.42
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47215824
1-[4-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 46452711
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
CID 82839821
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 154802558
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724059
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
[5-[[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]methyl]furan-2-yl]methanol
CID 56807009
(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 52527539
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid (CID 79993346) is 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid is CC1CN(S(=O)(=O)NCc2ccc(C(=O)O)o2)CC(C)O1.
What is the InChIKey of 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The InChIKey is ZUNPHTDHAXLMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-8-6-14(7-9(2)19-8)21(17,18)13-5-10-3-4-11(20-10)12(15)16/h3-4,8-9,13H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79993346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).