1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid

C10H19NO5S — CID 122070213

IUPAC1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
SMILESCOC(C)CS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(16-2)7-17(14,15)11-6-4-3-5-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBQWSGCZMHJRRPT-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds5

About 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid

1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid (PubChem CID 122070213) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
PubChem CID122070213
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
SMILESCOC(C)CS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(16-2)7-17(14,15)11-6-4-3-5-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBQWSGCZMHJRRPT-UHFFFAOYSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068683
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
(2R)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122103397
(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122103401
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
1-(6-methoxy-6-oxohexyl)sulfonylpiperidine-2-carboxylic acid
CID 122070228
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid (CID 122070213) is 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid is COC(C)CS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid?
The InChIKey is BQWSGCZMHJRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(16-2)7-17(14,15)11-6-4-3-5-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid?
1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 122070213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).