1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid

C19H21NO4S — CID 56620552

IUPAC1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid
SMILESC=C(CN1CCCC(C(=O)O)C1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21NO4S/c1-14(12-20-10-4-7-17(13-20)19(21)22)25(23,24)18-9-8-15-5-2-3-6-16(15)11-18/h2-3,5-6,8-9,11,17H,1,4,7,10,12-13H2,(H,21,22)
InChIKeyHWOWIVRPIGGXDZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid

1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid (PubChem CID 56620552) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid
PubChem CID56620552
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid
SMILESC=C(CN1CCCC(C(=O)O)C1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21NO4S/c1-14(12-20-10-4-7-17(13-20)19(21)22)25(23,24)18-9-8-15-5-2-3-6-16(15)11-18/h2-3,5-6,8-9,11,17H,1,4,7,10,12-13H2,(H,21,22)
InChIKeyHWOWIVRPIGGXDZ-UHFFFAOYSA-N
XLogP2.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid (CID 56620552) is 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid is C=C(CN1CCCC(C(=O)O)C1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid?
The InChIKey is HWOWIVRPIGGXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-14(12-20-10-4-7-17(13-20)19(21)22)25(23,24)18-9-8-15-5-2-3-6-16(15)11-18/h2-3,5-6,8-9,11,17H,1,4,7,10,12-13H2,(H,21,22).
What are the key properties of 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid?
1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid has a molecular weight of 359.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylsulfonylprop-2-enyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 56620552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).