ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate

C16H24N2O6S2 — CID 162365356

IUPACethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C16H24N2O6S2/c1-4-24-16(19)13-6-5-11-18(12-13)26(22,23)15-9-7-14(8-10-15)25(20,21)17(2)3/h7-10,13H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyUAVFEWORQCMCTB-CYBMUJFWSA-N
MW404.51 g/mol
LogP0.90
Rot. Bonds6

About ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate

ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate (PubChem CID 162365356) has the molecular formula C16H24N2O6S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
PubChem CID162365356
Molecular FormulaC16H24N2O6S2
Molecular Weight404.51 g/mol
Exact Mass404.11
IUPAC Nameethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C16H24N2O6S2/c1-4-24-16(19)13-6-5-11-18(12-13)26(22,23)15-9-7-14(8-10-15)25(20,21)17(2)3/h7-10,13H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyUAVFEWORQCMCTB-CYBMUJFWSA-N
XLogP0.90
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate (CID 162365356) is ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1.
What is the InChIKey of ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
The InChIKey is UAVFEWORQCMCTB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O6S2/c1-4-24-16(19)13-6-5-11-18(12-13)26(22,23)15-9-7-14(8-10-15)25(20,21)17(2)3/h7-10,13H,4-6,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[4-(dimethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 162365356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).