2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid

C10H19NO4S — CID 106742411

IUPAC2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C10H19NO4S/c1-7(2)16(14,15)11-5-4-9(10(12)13)6-8(11)3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyYFTGRJGFTJRRRI-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds3

About 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid

2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 106742411) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID106742411
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C10H19NO4S/c1-7(2)16(14,15)11-5-4-9(10(12)13)6-8(11)3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyYFTGRJGFTJRRRI-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid
CID 106742454
1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742365
1-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742382
2-methyl-1-propan-2-ylsulfonylpiperidine
CID 59266035
2-(2,4-dimethylpiperidin-1-yl)sulfonylpropanoic acid
CID 62330667
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
2-methyl-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylic acid
CID 106742467
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742367
2-methyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 106742427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid (CID 106742411) is 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1S(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is YFTGRJGFTJRRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)16(14,15)11-5-4-9(10(12)13)6-8(11)3/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid?
2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).