tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate

C18H36N4O4S — CID 55737815

IUPACtert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate
SMILESCN(C1CCCCC1)S(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N4O4S/c1-18(2,3)26-17(23)22-14-12-21(13-15-22)11-10-19-27(24,25)20(4)16-8-6-5-7-9-16/h16,19H,5-15H2,1-4H3
InChIKeyZVMJIDPOLGOPLM-UHFFFAOYSA-N
MW404.58 g/mol
LogP1.64
Rot. Bonds6

About tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 55737815) has the molecular formula C18H36N4O4S and a molecular weight of 404.58 g/mol. Its IUPAC name is tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate
PubChem CID55737815
Molecular FormulaC18H36N4O4S
Molecular Weight404.58 g/mol
Exact Mass404.25
IUPAC Nametert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate
SMILESCN(C1CCCCC1)S(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N4O4S/c1-18(2,3)26-17(23)22-14-12-21(13-15-22)11-10-19-27(24,25)20(4)16-8-6-5-7-9-16/h16,19H,5-15H2,1-4H3
InChIKeyZVMJIDPOLGOPLM-UHFFFAOYSA-N
XLogP1.64
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate (CID 55737815) is tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate is CN(C1CCCCC1)S(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate?
The InChIKey is ZVMJIDPOLGOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O4S/c1-18(2,3)26-17(23)22-14-12-21(13-15-22)11-10-19-27(24,25)20(4)16-8-6-5-7-9-16/h16,19H,5-15H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 404.58 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 55737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).