4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid

C10H19NO4S — CID 114422080

IUPAC4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-3-6-16(14,15)11-5-4-8(2)7-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyOIQBUVKMHYNEIG-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds4

About 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid

4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid (PubChem CID 114422080) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
PubChem CID114422080
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-3-6-16(14,15)11-5-4-8(2)7-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyOIQBUVKMHYNEIG-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidine-2-carboxylic acid
CID 114422164
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807133
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
4-methyl-1-(methylsulfamoyl)piperidine-2-carboxylic acid
CID 114807134
(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
CID 130610281
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114422160
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422076
4-[methyl(pyridin-3-ylmethyl)amino]-1-propylsulfonylpiperidine-2-carboxylic acid
CID 134073770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid (CID 114422080) is 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid is CCCS(=O)(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid?
The InChIKey is OIQBUVKMHYNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-6-16(14,15)11-5-4-8(2)7-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid?
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114422080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).