4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid

C9H18N2O5S — CID 114814511

IUPAC4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid
SMILESCC(C)CNS(=O)(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-7(2)5-10-17(14,15)11-3-4-16-8(6-11)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyQQQACGBUIHUEDS-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.74
Rot. Bonds5

About 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid

4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid (PubChem CID 114814511) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid
PubChem CID114814511
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid
SMILESCC(C)CNS(=O)(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-7(2)5-10-17(14,15)11-3-4-16-8(6-11)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyQQQACGBUIHUEDS-UHFFFAOYSA-N
XLogP-0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
4-(methylsulfonylmethylsulfonyl)morpholine-2-carboxylic acid
CID 82839163
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
CID 115678021
4-amino-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114813739
(2S)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 124682455
(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147251
(2R)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147250
4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114815531

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid (CID 114814511) is 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid is CC(C)CNS(=O)(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid?
The InChIKey is QQQACGBUIHUEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-7(2)5-10-17(14,15)11-3-4-16-8(6-11)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid?
4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 114814511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).