1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid

C10H17NO7S — CID 112562206

IUPAC1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
SMILESCOCCS(=O)(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C10H17NO7S/c1-18-4-5-19(16,17)11-3-2-7(9(12)13)8(6-11)10(14)15/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyMKIDKIKMKVYNAP-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.93
Rot. Bonds6

About 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid

1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112562206) has the molecular formula C10H17NO7S and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
PubChem CID112562206
Molecular FormulaC10H17NO7S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC Name1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
SMILESCOCCS(=O)(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C10H17NO7S/c1-18-4-5-19(16,17)11-3-2-7(9(12)13)8(6-11)10(14)15/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyMKIDKIKMKVYNAP-UHFFFAOYSA-N
XLogP-0.93
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
2-[1-(2-methoxyethylsulfonyl)azetidin-3-yl]acetic acid
CID 64616615
1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937263
3-bromo-1-(2-methoxyethylsulfonyl)piperidine
CID 80675894
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
4-(2-methoxyethylsulfonyl)-2-methylmorpholine
CID 110310083
1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid
CID 115917661
3-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]butanoic acid
CID 81046421
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62716437
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461
1-(2-methoxyethylsulfonyl)piperidine-4-carbaldehyde
CID 63844849
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid (CID 112562206) is 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid is COCCS(=O)(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is MKIDKIKMKVYNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO7S/c1-18-4-5-19(16,17)11-3-2-7(9(12)13)8(6-11)10(14)15/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid?
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 295.31 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112562206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).