tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C26H40N4O7S2 — CID 166632358

IUPACtert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)C2)cc1
InChIInChI=1S/C26H40N4O7S2/c1-6-29(7-2)38(33,34)21-10-12-22(13-11-21)39(35,36)30-14-8-9-20(15-30)23(31)27-16-26(17-27)18-28(19-26)24(32)37-25(3,4)5/h10-13,20H,6-9,14-19H2,1-5H3/t20-/m1/s1
InChIKeyQNXKQUIAIHHHDA-HXUWFJFHSA-N
MW584.76 g/mol
LogP2.20
Rot. Bonds7

About tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 166632358) has the molecular formula C26H40N4O7S2 and a molecular weight of 584.76 g/mol. Its IUPAC name is tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID166632358
Molecular FormulaC26H40N4O7S2
Molecular Weight584.76 g/mol
Exact Mass584.23
IUPAC Nametert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)C2)cc1
InChIInChI=1S/C26H40N4O7S2/c1-6-29(7-2)38(33,34)21-10-12-22(13-11-21)39(35,36)30-14-8-9-20(15-30)23(31)27-16-26(17-27)18-28(19-26)24(32)37-25(3,4)5/h10-13,20H,6-9,14-19H2,1-5H3/t20-/m1/s1
InChIKeyQNXKQUIAIHHHDA-HXUWFJFHSA-N
XLogP2.20
TPSA124.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.76
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 162365322
tert-butyl 4-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 162365331
tert-butyl (3S)-3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 162365367
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 162365409
tert-butyl 2-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 162365454
tert-butyl (3R)-3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 162365470
tert-butyl 3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]azetidine-1-carboxylate
CID 162365479
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 162365332
ethyl 3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]azetidine-1-carboxylate
CID 162365349
tert-butyl N-[2-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate;ethene
CID 162365413
N,N-diethyl-4-[(3R)-3-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365432
ethyl 4-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 162365437

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 166632358) is tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)C2)cc1.
What is the InChIKey of tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is QNXKQUIAIHHHDA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H40N4O7S2/c1-6-29(7-2)38(33,34)21-10-12-22(13-11-21)39(35,36)30-14-8-9-20(15-30)23(31)27-16-26(17-27)18-28(19-26)24(32)37-25(3,4)5/h10-13,20H,6-9,14-19H2,1-5H3/t20-/m1/s1.
What are the key properties of tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 584.76 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 166632358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).