1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid

C14H26N2O5S — CID 146134201

IUPAC1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(CCC1CCOCC1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O5S/c1-15(7-2-12-5-10-21-11-6-12)22(19,20)16-8-3-13(4-9-16)14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeySDMUJQPINYRIPG-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.78
Rot. Bonds6

About 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid

1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 146134201) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid
PubChem CID146134201
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(CCC1CCOCC1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O5S/c1-15(7-2-12-5-10-21-11-6-12)22(19,20)16-8-3-13(4-9-16)14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeySDMUJQPINYRIPG-UHFFFAOYSA-N
XLogP0.78
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid (CID 146134201) is 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid is CN(CCC1CCOCC1)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is SDMUJQPINYRIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-15(7-2-12-5-10-21-11-6-12)22(19,20)16-8-3-13(4-9-16)14(17)18/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid?
1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 334.44 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 146134201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).