1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid

C10H17NO4S — CID 114422142

IUPAC1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)C2CC2)C(C(=O)O)C1
InChIInChI=1S/C10H17NO4S/c1-7-4-5-11(9(6-7)10(12)13)16(14,15)8-2-3-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyGNSOLSHUQGPRNI-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.66
Rot. Bonds3

About 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid

1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid (PubChem CID 114422142) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
PubChem CID114422142
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)C2CC2)C(C(=O)O)C1
InChIInChI=1S/C10H17NO4S/c1-7-4-5-11(9(6-7)10(12)13)16(14,15)8-2-3-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyGNSOLSHUQGPRNI-UHFFFAOYSA-N
XLogP0.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
CID 130608836
4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
CID 114807134
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
CID 114422080
1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidine-2-carboxylic acid
CID 114422164
4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807133
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
4-methyl-1-(2-methyl-2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 114421327
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422133
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid (CID 114422142) is 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid is CC1CCN(S(=O)(=O)C2CC2)C(C(=O)O)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid?
The InChIKey is GNSOLSHUQGPRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-7-4-5-11(9(6-7)10(12)13)16(14,15)8-2-3-8/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid?
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114422142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).