1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid

C12H22N2O4S — CID 60857926

IUPAC1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESC=C(C)CN(CC)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O4S/c1-4-13(9-10(2)3)19(17,18)14-8-6-5-7-11(14)12(15)16/h11H,2,4-9H2,1,3H3,(H,15,16)
InChIKeyAMZDODRPOSWYJZ-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.07
Rot. Bonds6

About 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid

1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60857926) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60857926
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESC=C(C)CN(CC)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O4S/c1-4-13(9-10(2)3)19(17,18)14-8-6-5-7-11(14)12(15)16/h11H,2,4-9H2,1,3H3,(H,15,16)
InChIKeyAMZDODRPOSWYJZ-UHFFFAOYSA-N
XLogP1.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.07
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-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60858940
1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857764
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069672
1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857593
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61184167
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid (CID 60857926) is 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid is C=C(C)CN(CC)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is AMZDODRPOSWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-4-13(9-10(2)3)19(17,18)14-8-6-5-7-11(14)12(15)16/h11H,2,4-9H2,1,3H3,(H,15,16).
What are the key properties of 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60857926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).