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

C12H22N2O4S — CID 5071683

IUPAC1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C12H22N2O4S/c1-10-2-6-13(7-3-10)19(17,18)14-8-4-11(5-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyZCPDNHYCKFESLN-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.76
Rot. Bonds3

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

1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 5071683) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
PubChem CID5071683
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C12H22N2O4S/c1-10-2-6-13(7-3-10)19(17,18)14-8-4-11(5-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyZCPDNHYCKFESLN-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 60858430
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 60858617
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 64568646
1-(4-hydroxy-4-methylazepan-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 107404034
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 130884423
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid (CID 5071683) is 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid is CC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is ZCPDNHYCKFESLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-10-2-6-13(7-3-10)19(17,18)14-8-4-11(5-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 5071683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).