3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid

C12H23N3O4S — CID 107323953

IUPAC3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CC(C)CN(S(=O)(=O)N2CCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C12H23N3O4S/c1-9-5-10(2)7-15(6-9)20(18,19)14-4-3-12(13,8-14)11(16)17/h9-10H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyVHNGOHLBINYWLO-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.30
Rot. Bonds3

About 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid

3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 107323953) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID107323953
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CC(C)CN(S(=O)(=O)N2CCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C12H23N3O4S/c1-9-5-10(2)7-15(6-9)20(18,19)14-4-3-12(13,8-14)11(16)17/h9-10H,3-8,13H2,1-2H3,(H,16,17)
InChIKeyVHNGOHLBINYWLO-UHFFFAOYSA-N
XLogP-0.30
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145667
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
CID 107323968
3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324162
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
CID 55621429
3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107323993
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
CID 49460924
3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323845
3,5-dimethylpiperidine-1-sulfonamide
CID 43132027

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 107323953) is 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid is CC1CC(C)CN(S(=O)(=O)N2CCC(N)(C(=O)O)C2)C1.
What is the InChIKey of 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is VHNGOHLBINYWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-9-5-10(2)7-15(6-9)20(18,19)14-4-3-12(13,8-14)11(16)17/h9-10H,3-8,13H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).