1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid

C16H21FN2O5S — CID 122114437

IUPAC1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H21FN2O5S/c1-11-6-7-12(16(21)22)10-19(11)15(20)8-9-18-25(23,24)14-5-3-2-4-13(14)17/h2-5,11-12,18H,6-10H2,1H3,(H,21,22)
InChIKeyQBCXKQYTUMGIQI-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.21
Rot. Bonds6

About 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid

1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122114437) has the molecular formula C16H21FN2O5S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122114437
Molecular FormulaC16H21FN2O5S
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H21FN2O5S/c1-11-6-7-12(16(21)22)10-19(11)15(20)8-9-18-25(23,24)14-5-3-2-4-13(14)17/h2-5,11-12,18H,6-10H2,1H3,(H,21,22)
InChIKeyQBCXKQYTUMGIQI-UHFFFAOYSA-N
XLogP1.21
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid (CID 122114437) is 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is QBCXKQYTUMGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O5S/c1-11-6-7-12(16(21)22)10-19(11)15(20)8-9-18-25(23,24)14-5-3-2-4-13(14)17/h2-5,11-12,18H,6-10H2,1H3,(H,21,22).
What are the key properties of 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122114437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).