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

C20H32N2O6S2 — CID 162365376

IUPACethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1
InChIInChI=1S/C20H32N2O6S2/c1-4-13-21(14-5-2)29(24,25)18-9-11-19(12-10-18)30(26,27)22-15-7-8-17(16-22)20(23)28-6-3/h9-12,17H,4-8,13-16H2,1-3H3/t17-/m1/s1
InChIKeyUKEQTOCCTWVQHS-QGZVFWFLSA-N
MW460.62 g/mol
LogP2.46
Rot. Bonds10

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

ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate (PubChem CID 162365376) has the molecular formula C20H32N2O6S2 and a molecular weight of 460.62 g/mol. Its IUPAC name is ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
PubChem CID162365376
Molecular FormulaC20H32N2O6S2
Molecular Weight460.62 g/mol
Exact Mass460.17
IUPAC Nameethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1
InChIInChI=1S/C20H32N2O6S2/c1-4-13-21(14-5-2)29(24,25)18-9-11-19(12-10-18)30(26,27)22-15-7-8-17(16-22)20(23)28-6-3/h9-12,17H,4-8,13-16H2,1-3H3/t17-/m1/s1
InChIKeyUKEQTOCCTWVQHS-QGZVFWFLSA-N
XLogP2.46
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 52.46
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-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate (CID 162365376) is ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate is CCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1.
What is the InChIKey of ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
The InChIKey is UKEQTOCCTWVQHS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N2O6S2/c1-4-13-21(14-5-2)29(24,25)18-9-11-19(12-10-18)30(26,27)22-15-7-8-17(16-22)20(23)28-6-3/h9-12,17H,4-8,13-16H2,1-3H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate has a molecular weight of 460.62 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[4-(dipropylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 162365376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).