tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate

C14H20FN3O4S — CID 97171851

IUPACtert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ncc(F)cn2)C1
InChIInChI=1S/C14H20FN3O4S/c1-14(2,3)22-13(19)18-6-4-5-11(9-18)23(20,21)12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyDATDJKUOHPMDEF-LLVKDONJSA-N
MW345.40 g/mol
LogP1.79
Rot. Bonds2

About tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate

tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate (PubChem CID 97171851) has the molecular formula C14H20FN3O4S and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
PubChem CID97171851
Molecular FormulaC14H20FN3O4S
Molecular Weight345.40 g/mol
Exact Mass345.12
IUPAC Nametert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ncc(F)cn2)C1
InChIInChI=1S/C14H20FN3O4S/c1-14(2,3)22-13(19)18-6-4-5-11(9-18)23(20,21)12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyDATDJKUOHPMDEF-LLVKDONJSA-N
XLogP1.79
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(4-chloro-5-methylpyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97176108
tert-butyl (3S)-3-(4-chloro-6-methylpyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97176770
tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate
CID 97176448
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 86329315
tert-butyl (3S)-3-quinoxalin-2-ylsulfonylpiperidine-1-carboxylate
CID 97171844
tert-butyl (3R)-3-[(R)-(5-fluoropyrimidin-2-yl)sulfinyl]piperidine-1-carboxylate
CID 97171941
tert-butyl (3S)-3-(2-chloropyrimidin-4-yl)sulfonylpiperidine-1-carboxylate
CID 97171838
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
tert-butyl 3-sulfamoylpiperidine-1-carboxylate
CID 122702227
tert-butyl 3-[(3,5-difluoro-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 135135166
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634303
tert-butyl 3-[(6-chloro-3-pyridinyl)methylsulfonyl]piperidine-1-carboxylate
CID 71630952

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate (CID 97171851) is tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ncc(F)cn2)C1.
What is the InChIKey of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate?
The InChIKey is DATDJKUOHPMDEF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20FN3O4S/c1-14(2,3)22-13(19)18-6-4-5-11(9-18)23(20,21)12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate?
tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate is sourced from PubChem (CID 97171851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).