1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid

C12H22N2O5S — CID 64568646

IUPAC1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
SMILESCOCC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O5S/c1-19-9-10-2-5-14(8-10)20(17,18)13-6-3-11(4-7-13)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyRMFYTGNWFVYBBR-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.00
Rot. Bonds5

About 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid

1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid (PubChem CID 64568646) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
PubChem CID64568646
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
SMILESCOCC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O5S/c1-19-9-10-2-5-14(8-10)20(17,18)13-6-3-11(4-7-13)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyRMFYTGNWFVYBBR-UHFFFAOYSA-N
XLogP-0.00
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 60858430
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3-prop-2-enylazetidine-3-carboxylic acid
CID 166292070
1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 63972132
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114092440
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 64571052
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 60858617
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid (CID 64568646) is 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid is COCC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The InChIKey is RMFYTGNWFVYBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-19-9-10-2-5-14(8-10)20(17,18)13-6-3-11(4-7-13)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 64568646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).