1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid

C12H20N2O4S — CID 60857764

IUPAC1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESC=CCN(CC=C)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-3-8-13(9-4-2)19(17,18)14-10-6-5-7-11(14)12(15)16/h3-4,11H,1-2,5-10H2,(H,15,16)
InChIKeySDWJMCOOZISMSK-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.84
Rot. Bonds7

About 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid

1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60857764) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60857764
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESC=CCN(CC=C)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-3-8-13(9-4-2)19(17,18)14-10-6-5-7-11(14)12(15)16/h3-4,11H,1-2,5-10H2,(H,15,16)
InChIKeySDWJMCOOZISMSK-UHFFFAOYSA-N
XLogP0.84
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857593
1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857926
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 79673182
1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60858940
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid
CID 167749339
ethyl 2-[(2-methylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetate
CID 78977663
2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340573
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid (CID 60857764) is 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid is C=CCN(CC=C)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is SDWJMCOOZISMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-3-8-13(9-4-2)19(17,18)14-10-6-5-7-11(14)12(15)16/h3-4,11H,1-2,5-10H2,(H,15,16).
What are the key properties of 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60857764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).