1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid

C10H18N2O7S — CID 107216371

IUPAC1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCOC(=O)C(O)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O7S/c1-19-10(16)8(13)6-11-20(17,18)12-4-2-7(3-5-12)9(14)15/h7-8,11,13H,2-6H2,1H3,(H,14,15)
InChIKeyCZUWJUUYFLUQFW-UHFFFAOYSA-N
MW310.33 g/mol
LogP-1.85
Rot. Bonds6

About 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid

1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 107216371) has the molecular formula C10H18N2O7S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID107216371
Molecular FormulaC10H18N2O7S
Molecular Weight310.33 g/mol
Exact Mass310.08
IUPAC Name1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCOC(=O)C(O)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O7S/c1-19-10(16)8(13)6-11-20(17,18)12-4-2-7(3-5-12)9(14)15/h7-8,11,13H,2-6H2,1H3,(H,14,15)
InChIKeyCZUWJUUYFLUQFW-UHFFFAOYSA-N
XLogP-1.85
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
(2S)-3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935936
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-hydroxypropanoate
CID 103879591
1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid
CID 112672372
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
ethyl 1-(2-aminopropylsulfamoyl)piperidine-4-carboxylate
CID 63731077

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid (CID 107216371) is 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid is COC(=O)C(O)CNS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is CZUWJUUYFLUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7S/c1-19-10(16)8(13)6-11-20(17,18)12-4-2-7(3-5-12)9(14)15/h7-8,11,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of -1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 107216371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).