(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid

C12H16N2O7S — CID 125120389

IUPAC(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)o1
InChIInChI=1S/C12H16N2O7S/c1-7-8(5-10(21-7)22(18,19)13-2)11(15)14-3-4-20-9(6-14)12(16)17/h5,9,13H,3-4,6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyRKVVKZYAQYMERQ-SECBINFHSA-N
MW332.33 g/mol
LogP-0.58
Rot. Bonds4

About (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 125120389) has the molecular formula C12H16N2O7S and a molecular weight of 332.33 g/mol. Its IUPAC name is (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID125120389
Molecular FormulaC12H16N2O7S
Molecular Weight332.33 g/mol
Exact Mass332.07
IUPAC Name(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)o1
InChIInChI=1S/C12H16N2O7S/c1-7-8(5-10(21-7)22(18,19)13-2)11(15)14-3-4-20-9(6-14)12(16)17/h5,9,13H,3-4,6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyRKVVKZYAQYMERQ-SECBINFHSA-N
XLogP-0.58
TPSA126.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534137
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride
CID 119624045
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
CID 119239991
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564
N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 94538564
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid (CID 125120389) is (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid is CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)o1.
What is the InChIKey of (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is RKVVKZYAQYMERQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O7S/c1-7-8(5-10(21-7)22(18,19)13-2)11(15)14-3-4-20-9(6-14)12(16)17/h5,9,13H,3-4,6H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 332.33 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125120389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).