3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid

C12H16N2O4S — CID 69113749

IUPAC3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(S(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C12H16N2O4S/c15-12(16)14-7-6-11(9-14)19(17,18)13-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)
InChIKeyCWWVDXILJUCJML-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.86
Rot. Bonds4

About 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid

3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 69113749) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid
PubChem CID69113749
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(S(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C12H16N2O4S/c15-12(16)14-7-6-11(9-14)19(17,18)13-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)
InChIKeyCWWVDXILJUCJML-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R)-3-[(5-ethylthiophen-2-yl)methylsulfamoyl]pyrrolidine-1-carboxylate
CID 124736213
[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
CID 147007138
(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 67928795
3-[[[1-(cyclopentanecarbonyl)azetidin-3-yl]sulfonylamino]methyl]benzoic acid
CID 136533017
(3S,4R)-4-(benzylamino)piperidine-1,3-dicarboxylic acid
CID 90844660
(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid
CID 68612024
N-benzylpyrrolidine-3-sulfonamide
CID 65420907
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 75474412
(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
CID 67546893
3-(benzenesulfonyl)piperidine-1-carboxylic acid
CID 91356890

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid (CID 69113749) is 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(S(=O)(=O)NCc2ccccc2)C1.
What is the InChIKey of 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is CWWVDXILJUCJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-12(16)14-7-6-11(9-14)19(17,18)13-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16).
What are the key properties of 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid?
3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69113749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).