1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid

C11H22N2O5S — CID 104759194

IUPAC1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCOC(C)(C)CNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-11(2,18-3)8-12-19(16,17)13-6-4-5-9(7-13)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyIGYOKJOSLVXBBZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.04
Rot. Bonds6

About 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 104759194) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID104759194
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCOC(C)(C)CNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-11(2,18-3)8-12-19(16,17)13-6-4-5-9(7-13)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyIGYOKJOSLVXBBZ-UHFFFAOYSA-N
XLogP0.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 63828748
Ethyl 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate
CID 104858692
1-[2-(2,2-Difluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 105907966
3-[[(4,4-Difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
CID 166273636
1-[(Dimethylamino)sulfonyl]piperidine-3-carboxylic acid
CID 24262965
(3R)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid
CID 28784079
(3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid
CID 28784081
(3R)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid
CID 42257590
(3S)-1-(dimethylsulfamoyl)piperidine-3-carboxylic acid
CID 42257597
1-(Dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-(2,6-Dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 43172829
3-[(3-Ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43173185

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid (CID 104759194) is 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid is COC(C)(C)CNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is IGYOKJOSLVXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-11(2,18-3)8-12-19(16,17)13-6-4-5-9(7-13)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 104759194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).