2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid

C12H21NO5S — CID 104595573

IUPAC2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H21NO5S/c1-12(11(14)15)6-2-3-7-13(12)19(16,17)9-10-5-4-8-18-10/h10H,2-9H2,1H3,(H,14,15)
InChIKeyWMAARBCICZVHFW-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.82
Rot. Bonds4

About 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid

2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid (PubChem CID 104595573) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid
PubChem CID104595573
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H21NO5S/c1-12(11(14)15)6-2-3-7-13(12)19(16,17)9-10-5-4-8-18-10/h10H,2-9H2,1H3,(H,14,15)
InChIKeyWMAARBCICZVHFW-UHFFFAOYSA-N
XLogP0.82
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 63247201
3,3-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
CID 154789706
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 82838547
1-butylsulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595633
2-methyl-1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid
CID 104595563
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
2-[1-(oxolan-2-ylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617242
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carboxylic acid
CID 113431091
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
CID 63877001
(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 129470132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid (CID 104595573) is 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid?
The InChIKey is WMAARBCICZVHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-12(11(14)15)6-2-3-7-13(12)19(16,17)9-10-5-4-8-18-10/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid?
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104595573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).