tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate

C17H26N4O6S — CID 70696646

IUPACtert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H26N4O6S/c1-17(2,3)26-16(23)21-10-8-13(9-11-21)20-15(22)19-12-4-6-14(7-5-12)27-28(18,24)25/h4-7,13H,8-11H2,1-3H3,(H2,18,24,25)(H2,19,20,22)
InChIKeyNWVLCTCAXNVSRC-UHFFFAOYSA-N
MW414.48 g/mol
LogP1.79
Rot. Bonds4

About tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 70696646) has the molecular formula C17H26N4O6S and a molecular weight of 414.48 g/mol. Its IUPAC name is tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID70696646
Molecular FormulaC17H26N4O6S
Molecular Weight414.48 g/mol
Exact Mass414.16
IUPAC Nametert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H26N4O6S/c1-17(2,3)26-16(23)21-10-8-13(9-11-21)20-15(22)19-12-4-6-14(7-5-12)27-28(18,24)25/h4-7,13H,8-11H2,1-3H3,(H2,18,24,25)(H2,19,20,22)
InChIKeyNWVLCTCAXNVSRC-UHFFFAOYSA-N
XLogP1.79
TPSA140.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate (CID 70696646) is tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is NWVLCTCAXNVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O6S/c1-17(2,3)26-16(23)21-10-8-13(9-11-21)20-15(22)19-12-4-6-14(7-5-12)27-28(18,24)25/h4-7,13H,8-11H2,1-3H3,(H2,18,24,25)(H2,19,20,22).
What are the key properties of tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 414.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 70696646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).