ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate

C11H20F2N2O5S — CID 103836806

IUPACethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C11H20F2N2O5S/c1-2-20-11(17)8-4-3-5-15(7-8)21(18,19)14-6-9(16)10(12)13/h8-10,14,16H,2-7H2,1H3
InChIKeyYAIXEPXZLPZPQC-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.28
Rot. Bonds7

About ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate

ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate (PubChem CID 103836806) has the molecular formula C11H20F2N2O5S and a molecular weight of 330.35 g/mol. Its IUPAC name is ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate
PubChem CID103836806
Molecular FormulaC11H20F2N2O5S
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Nameethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C11H20F2N2O5S/c1-2-20-11(17)8-4-3-5-15(7-8)21(18,19)14-6-9(16)10(12)13/h8-10,14,16H,2-7H2,1H3
InChIKeyYAIXEPXZLPZPQC-UHFFFAOYSA-N
XLogP-0.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate (CID 103836806) is ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)NCC(O)C(F)F)C1.
What is the InChIKey of ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate?
The InChIKey is YAIXEPXZLPZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O5S/c1-2-20-11(17)8-4-3-5-15(7-8)21(18,19)14-6-9(16)10(12)13/h8-10,14,16H,2-7H2,1H3.
What are the key properties of ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate?
ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate has a molecular weight of 330.35 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 103836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).