1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid

C17H27N3O4S — CID 122052361

IUPAC1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(C)(C(=O)O)C2)nc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)20(13(3)4)25(23,24)14-6-7-15(18-10-14)19-9-8-17(5,11-19)16(21)22/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,21,22)
InChIKeySCULWGBBMSIWEJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.19
Rot. Bonds6

About 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid

1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122052361) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122052361
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(C)(C(=O)O)C2)nc1
InChIInChI=1S/C17H27N3O4S/c1-12(2)20(13(3)4)25(23,24)14-6-7-15(18-10-14)19-9-8-17(5,11-19)16(21)22/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,21,22)
InChIKeySCULWGBBMSIWEJ-UHFFFAOYSA-N
XLogP2.19
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052446
1-[5-(difluoromethoxy)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052517
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55470568
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052427
1-(7-fluoroquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052481
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410

Frequently Asked Questions

What is the IUPAC name of 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122052361) is 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid is CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(C)(C(=O)O)C2)nc1.
What is the InChIKey of 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SCULWGBBMSIWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12(2)20(13(3)4)25(23,24)14-6-7-15(18-10-14)19-9-8-17(5,11-19)16(21)22/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,21,22).
What are the key properties of 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 369.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).