1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid

C11H21NO4S — CID 63856939

IUPAC1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid
SMILESCC(C)CCS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(2)6-8-17(15,16)12-7-4-3-5-10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyZCGAOOWFKCOOMP-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds5

About 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid

1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid (PubChem CID 63856939) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid
PubChem CID63856939
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid
SMILESCC(C)CCS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(2)6-8-17(15,16)12-7-4-3-5-10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyZCGAOOWFKCOOMP-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid (CID 63856939) is 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid is CC(C)CCS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid?
The InChIKey is ZCGAOOWFKCOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)6-8-17(15,16)12-7-4-3-5-10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid?
1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 63856939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).