[4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate

C18H27FN2O4S — CID 70258027

IUPAC[4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate
SMILESCN(CCC(C)(C)OC(=O)N1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O4S/c1-18(2,25-17(22)21-12-5-4-6-13-21)11-14-20(3)26(23,24)16-9-7-15(19)8-10-16/h7-10H,4-6,11-14H2,1-3H3
InChIKeySPMIIQXDQHZLDH-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.24
Rot. Bonds6

About [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate

[4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate (PubChem CID 70258027) has the molecular formula C18H27FN2O4S and a molecular weight of 386.49 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate
PubChem CID70258027
Molecular FormulaC18H27FN2O4S
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC Name[4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate
SMILESCN(CCC(C)(C)OC(=O)N1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O4S/c1-18(2,25-17(22)21-12-5-4-6-13-21)11-14-20(3)26(23,24)16-9-7-15(19)8-10-16/h7-10H,4-6,11-14H2,1-3H3
InChIKeySPMIIQXDQHZLDH-UHFFFAOYSA-N
XLogP3.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate?
The IUPAC name of [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate (CID 70258027) is [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate.
What is the SMILES notation for [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate?
The canonical SMILES for [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate is CN(CCC(C)(C)OC(=O)N1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate?
The InChIKey is SPMIIQXDQHZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4S/c1-18(2,25-17(22)21-12-5-4-6-13-21)11-14-20(3)26(23,24)16-9-7-15(19)8-10-16/h7-10H,4-6,11-14H2,1-3H3.
What are the key properties of [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate?
[4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate has a molecular weight of 386.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylbutan-2-yl] piperidine-1-carboxylate is sourced from PubChem (CID 70258027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).