(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid

C12H22N2O4S — CID 28784096

IUPAC(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C12H22N2O4S/c1-10-5-8-13(9-6-10)19(17,18)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyOIEBZFPACVBDGA-NSHDSACASA-N
MW290.38 g/mol
LogP0.90
Rot. Bonds3

About (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid

(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 28784096) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
PubChem CID28784096
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C12H22N2O4S/c1-10-5-8-13(9-6-10)19(17,18)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyOIEBZFPACVBDGA-NSHDSACASA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 60858592
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
CID 60858778
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423409
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
CID 116636735
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
1-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 103355681
(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 18727219
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid (CID 28784096) is (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid is CC1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is OIEBZFPACVBDGA-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-10-5-8-13(9-6-10)19(17,18)14-7-3-2-4-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid?
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 28784096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).