2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid

C11H21NO4S — CID 106742454

IUPAC2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid
SMILESCC(C)CS(=O)(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H21NO4S/c1-8(2)7-17(15,16)12-5-4-10(11(13)14)6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyBCQOPPGOSYPTEG-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.16
Rot. Bonds4

About 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid

2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid (PubChem CID 106742454) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid
PubChem CID106742454
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid
SMILESCC(C)CS(=O)(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H21NO4S/c1-8(2)7-17(15,16)12-5-4-10(11(13)14)6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyBCQOPPGOSYPTEG-UHFFFAOYSA-N
XLogP1.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid
CID 106742411
3-methyl-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 104937349
1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742365
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
1-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742382
(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253
2-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylic acid
CID 106742336
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
5-cyclopropyl-N-[(2S,4R)-2-methyl-1-(2-methylpropylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040369
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid (CID 106742454) is 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid is CC(C)CS(=O)(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid?
The InChIKey is BCQOPPGOSYPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(2)7-17(15,16)12-5-4-10(11(13)14)6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid?
2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106742454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).