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

C17H25FN2O4S — CID 18374698

IUPACtert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O4S/c1-17(2,3)24-16(21)20-10-8-13(9-11-20)12-19-25(22,23)15-6-4-14(18)5-7-15/h4-7,13,19H,8-12H2,1-3H3
InChIKeyXDDABTLSKQPNRA-UHFFFAOYSA-N
MW372.46 g/mol
LogP2.75
Rot. Bonds4

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

tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate (PubChem CID 18374698) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
PubChem CID18374698
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Nametert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O4S/c1-17(2,3)24-16(21)20-10-8-13(9-11-20)12-19-25(22,23)15-6-4-14(18)5-7-15/h4-7,13,19H,8-12H2,1-3H3
InChIKeyXDDABTLSKQPNRA-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 66559419
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
CID 18374764
tert-butyl 4-[[[4-(2-ethoxycarbonylcyclopropyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 135375018
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl 4-[(4-fluorophenyl)sulfonyloxymethylamino]piperidine-1-carboxylate
CID 174847393
4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521856
tert-butyl (3R)-3-[[[4-(bromomethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 97172357
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
tert-butyl (3S)-3-[[(4-fluorophenyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97057086
tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259
tert-butyl 4-[[5-(4-fluorophenyl)sulfonyl-2-propylphenyl]sulfonylamino]piperidine-1-carboxylate
CID 57430429

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate (CID 18374698) is tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate?
The InChIKey is XDDABTLSKQPNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-17(2,3)24-16(21)20-10-8-13(9-11-20)12-19-25(22,23)15-6-4-14(18)5-7-15/h4-7,13,19H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate has a molecular weight of 372.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 18374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).