1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid

C13H22N2O4S — CID 167749339

IUPAC1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid
SMILESC=CCN(CC=C)S(=O)(=O)N1CCC(C)(C)C1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-5-8-14(9-6-2)20(18,19)15-10-7-13(3,4)11(15)12(16)17/h5-6,11H,1-2,7-10H2,3-4H3,(H,16,17)
InChIKeyMZVAOJNRTITGQX-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.09
Rot. Bonds7

About 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid

1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid (PubChem CID 167749339) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid
PubChem CID167749339
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid
SMILESC=CCN(CC=C)S(=O)(=O)N1CCC(C)(C)C1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-5-8-14(9-6-2)20(18,19)15-10-7-13(3,4)11(15)12(16)17/h5-6,11H,1-2,7-10H2,3-4H3,(H,16,17)
InChIKeyMZVAOJNRTITGQX-UHFFFAOYSA-N
XLogP1.09
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.09
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(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857764
4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
CID 136512519
2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetic acid
CID 79263343
N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide
CID 115754648
ethyl 2-[(2-methylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetate
CID 78977663
1-(3-ethoxy-3-oxopropyl)sulfonyl-3,3-dimethylpiperidine-2-carboxylic acid
CID 106831643
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340573
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,3-dimethylpiperidine-2-carboxylic acid
CID 106831590
3,3-dimethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 106831621
3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837646
4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340553

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid (CID 167749339) is 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid is C=CCN(CC=C)S(=O)(=O)N1CCC(C)(C)C1C(=O)O.
What is the InChIKey of 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid?
The InChIKey is MZVAOJNRTITGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-5-8-14(9-6-2)20(18,19)15-10-7-13(3,4)11(15)12(16)17/h5-6,11H,1-2,7-10H2,3-4H3,(H,16,17).
What are the key properties of 1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid?
1-[bis(prop-2-enyl)sulfamoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 1.09, 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]-3,3-dimethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167749339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).