1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid

C15H24N2O5S — CID 154802558

IUPAC1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)13-5-4-12(22-13)10-16-23(20,21)17-8-6-11(7-9-17)14(18)19/h4-5,11,16H,6-10H2,1-3H3,(H,18,19)
InChIKeyNODMEWUHAQBDME-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.71
Rot. Bonds5

About 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid

1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid (PubChem CID 154802558) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
PubChem CID154802558
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(CNS(=O)(=O)N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)13-5-4-12(22-13)10-16-23(20,21)17-8-6-11(7-9-17)14(18)19/h4-5,11,16H,6-10H2,1-3H3,(H,18,19)
InChIKeyNODMEWUHAQBDME-UHFFFAOYSA-N
XLogP1.71
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid (CID 154802558) is 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid is CC(C)(C)c1ccc(CNS(=O)(=O)N2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is NODMEWUHAQBDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-15(2,3)13-5-4-12(22-13)10-16-23(20,21)17-8-6-11(7-9-17)14(18)19/h4-5,11,16H,6-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 344.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butylfuran-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 154802558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).