2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid

C7H12N2O4S — CID 154997321

IUPAC2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid
SMILESNS(=O)(=O)C=CC1CCCN1C(=O)O
InChIInChI=1S/C7H12N2O4S/c8-14(12,13)5-3-6-2-1-4-9(6)7(10)11/h3,5-6H,1-2,4H2,(H,10,11)(H2,8,12,13)
InChIKeyBIBABFSHIMFXCY-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.07
Rot. Bonds2

About 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid

2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid (PubChem CID 154997321) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid
PubChem CID154997321
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid
SMILESNS(=O)(=O)C=CC1CCCN1C(=O)O
InChIInChI=1S/C7H12N2O4S/c8-14(12,13)5-3-6-2-1-4-9(6)7(10)11/h3,5-6H,1-2,4H2,(H,10,11)(H2,8,12,13)
InChIKeyBIBABFSHIMFXCY-UHFFFAOYSA-N
XLogP-0.07
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(Z)-2-sulfamoylethenyl]pyrrolidine-1-carboxylate
CID 175162311
tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate
CID 175741866
(2R)-2-(3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 69317593
2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid
CID 175164867
(2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid
CID 18644464
(2S)-2-[(E)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)ethenyl]pyrrolidine-1-carboxylic acid
CID 154996826
2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrrolidine-1-carboxylic acid
CID 175961804
(2S)-2-(7,7,8,8,8-pentafluorooct-1-enyl)pyrrolidine-1-carboxylic acid
CID 173379492
2-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 174227082
tert-butyl (2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]pyrrolidine-1-carboxylate
CID 10711993
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
4-sulfamoylazepane-1-carboxylic acid
CID 155100519

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid (CID 154997321) is 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid is NS(=O)(=O)C=CC1CCCN1C(=O)O.
What is the InChIKey of 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is BIBABFSHIMFXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c8-14(12,13)5-3-6-2-1-4-9(6)7(10)11/h3,5-6H,1-2,4H2,(H,10,11)(H2,8,12,13).
What are the key properties of 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid?
2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154997321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).