1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid

C9H16N2O4S — CID 60858273

IUPAC1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)N2CCC2)CC1
InChIInChI=1S/C9H16N2O4S/c12-9(13)8-2-6-11(7-3-8)16(14,15)10-4-1-5-10/h8H,1-7H2,(H,12,13)
InChIKeyTWTFUEXWMTUUEA-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.27
Rot. Bonds3

About 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid

1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid (PubChem CID 60858273) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid
PubChem CID60858273
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)N2CCC2)CC1
InChIInChI=1S/C9H16N2O4S/c12-9(13)8-2-6-11(7-3-8)16(14,15)10-4-1-5-10/h8H,1-7H2,(H,12,13)
InChIKeyTWTFUEXWMTUUEA-UHFFFAOYSA-N
XLogP-0.27
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-(azepan-1-ylsulfonyl)piperidine-4-carboxylic Acid
CID 4641054
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60891179
1-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60952455
1-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61605874
1-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65533847
1-[2,2-Difluoroethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 116314366
1-[2,2-Difluoroethyl(propyl)sulfamoyl]piperidine-4-carboxylic acid
CID 137926583

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid (CID 60858273) is 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)N2CCC2)CC1.
What is the InChIKey of 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid?
The InChIKey is TWTFUEXWMTUUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c12-9(13)8-2-6-11(7-3-8)16(14,15)10-4-1-5-10/h8H,1-7H2,(H,12,13).
What are the key properties of 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid?
1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-ylsulfonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 60858273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).