tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate

C17H26N2O4S — CID 52783443

IUPACtert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-5-7-15(8-6-13)24(21,22)18-14-9-11-19(12-10-14)16(20)23-17(2,3)4/h5-8,14,18H,9-12H2,1-4H3
InChIKeyICOLJHOKDODPST-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 52783443) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID52783443
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Nametert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-5-7-15(8-6-13)24(21,22)18-14-9-11-19(12-10-14)16(20)23-17(2,3)4/h5-8,14,18H,9-12H2,1-4H3
InChIKeyICOLJHOKDODPST-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 52783443) is tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is ICOLJHOKDODPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-5-7-15(8-6-13)24(21,22)18-14-9-11-19(12-10-14)16(20)23-17(2,3)4/h5-8,14,18H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 354.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 52783443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).