(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid

C16H25N3O4S — CID 122059850

IUPAC(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)O)nc1
InChIInChI=1S/C16H25N3O4S/c1-11(2)19(12(3)4)24(22,23)13-7-8-15(17-10-13)18-9-5-6-14(18)16(20)21/h7-8,10-12,14H,5-6,9H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyFOTZUQMAZRJJAD-AWEZNQCLSA-N
MW355.46 g/mol
LogP1.94
Rot. Bonds6

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

(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 122059850) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID122059850
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)O)nc1
InChIInChI=1S/C16H25N3O4S/c1-11(2)19(12(3)4)24(22,23)13-7-8-15(17-10-13)18-9-5-6-14(18)16(20)21/h7-8,10-12,14H,5-6,9H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyFOTZUQMAZRJJAD-AWEZNQCLSA-N
XLogP1.94
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113
1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052361
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120964902
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 97221231
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 122059850) is (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid is CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)O)nc1.
What is the InChIKey of (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FOTZUQMAZRJJAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-11(2)19(12(3)4)24(22,23)13-7-8-15(17-10-13)18-9-5-6-14(18)16(20)21/h7-8,10-12,14H,5-6,9H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 355.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).