tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

C17H25FN2O4S — CID 60563649

IUPACtert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25FN2O4S/c1-12-11-13(18)5-6-15(12)25(22,23)19-14-7-9-20(10-8-14)16(21)24-17(2,3)4/h5-6,11,14,19H,7-10H2,1-4H3
InChIKeyATYFOCRICQKXCR-UHFFFAOYSA-N
MW372.46 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 60563649) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID60563649
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Nametert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25FN2O4S/c1-12-11-13(18)5-6-15(12)25(22,23)19-14-7-9-20(10-8-14)16(21)24-17(2,3)4/h5-6,11,14,19H,7-10H2,1-4H3
InChIKeyATYFOCRICQKXCR-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.81
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-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 60563649) is tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is Cc1cc(F)ccc1S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is ATYFOCRICQKXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-12-11-13(18)5-6-15(12)25(22,23)19-14-7-9-20(10-8-14)16(21)24-17(2,3)4/h5-6,11,14,19H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 372.46 g/mol, XLogP of 2.81, 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-fluoro-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 60563649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).