2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid

C11H20N2O4S — CID 63256331

IUPAC2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C11H20N2O4S/c14-11(15)8-18(16,17)13-7-2-1-5-10(13)9-4-3-6-12-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyNEGDVRLMESSFSX-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.01
Rot. Bonds4

About 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid

2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid (PubChem CID 63256331) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
PubChem CID63256331
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C11H20N2O4S/c14-11(15)8-18(16,17)13-7-2-1-5-10(13)9-4-3-6-12-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyNEGDVRLMESSFSX-UHFFFAOYSA-N
XLogP0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid (CID 63256331) is 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid is O=C(O)CS(=O)(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
The InChIKey is NEGDVRLMESSFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-11(15)8-18(16,17)13-7-2-1-5-10(13)9-4-3-6-12-9/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid has a molecular weight of 276.36 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 63256331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).