2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid

C11H20N2O4S — CID 61359353

IUPAC2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H20N2O4S/c14-11(15)8-18(16,17)13-6-2-3-9(7-13)10-4-1-5-12-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyVMFROZWQADSEKO-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.14
Rot. Bonds4

About 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid

2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid (PubChem CID 61359353) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
PubChem CID61359353
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H20N2O4S/c14-11(15)8-18(16,17)13-6-2-3-9(7-13)10-4-1-5-12-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyVMFROZWQADSEKO-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid (CID 61359353) is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid is O=C(O)CS(=O)(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
The InChIKey is VMFROZWQADSEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-11(15)8-18(16,17)13-6-2-3-9(7-13)10-4-1-5-12-10/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid?
2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid has a molecular weight of 276.36 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 61359353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).