tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate

C19H29N3O5S — CID 55960977

IUPACtert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O5S/c1-5-28(25,26)21-16-10-8-15(9-11-16)20-17(23)14-7-6-12-22(13-14)18(24)27-19(2,3)4/h8-11,14,21H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKeyIAMMNSIJMXMAHD-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.03
Rot. Bonds5

About tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 55960977) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID55960977
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Nametert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O5S/c1-5-28(25,26)21-16-10-8-15(9-11-16)20-17(23)14-7-6-12-22(13-14)18(24)27-19(2,3)4/h8-11,14,21H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKeyIAMMNSIJMXMAHD-UHFFFAOYSA-N
XLogP3.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55960086
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
tert-butyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 45280915
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
tert-butyl 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 169214190
tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893
tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24515330

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate (CID 55960977) is tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is IAMMNSIJMXMAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-5-28(25,26)21-16-10-8-15(9-11-16)20-17(23)14-7-6-12-22(13-14)18(24)27-19(2,3)4/h8-11,14,21H,5-7,12-13H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 411.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 55960977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).