1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid

C14H28N2O4S — CID 5079844

IUPAC1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-11(2)9-16(10-12(3)4)21(19,20)15-7-5-13(6-8-15)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyHLMYSPHCMYBHQF-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.64
Rot. Bonds7

About 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid

1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 5079844) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID5079844
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4S/c1-11(2)9-16(10-12(3)4)21(19,20)15-7-5-13(6-8-15)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyHLMYSPHCMYBHQF-UHFFFAOYSA-N
XLogP1.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid (CID 5079844) is 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is HLMYSPHCMYBHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-11(2)9-16(10-12(3)4)21(19,20)15-7-5-13(6-8-15)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5079844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).