tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate

C10H18FNO4S — CID 131125296

IUPACtert-butyl 3-fluorosulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(S(=O)(=O)F)C1
InChIInChI=1S/C10H18FNO4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3
InChIKeyKGUFPZQZPDWHAW-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.69
Rot. Bonds1

About tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate

tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate (PubChem CID 131125296) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluorosulfonylpiperidine-1-carboxylate
PubChem CID131125296
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Nametert-butyl 3-fluorosulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(S(=O)(=O)F)C1
InChIInChI=1S/C10H18FNO4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3
InChIKeyKGUFPZQZPDWHAW-UHFFFAOYSA-N
XLogP1.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate (CID 131125296) is tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(S(=O)(=O)F)C1.
What is the InChIKey of tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate?
The InChIKey is KGUFPZQZPDWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate?
tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluorosulfonylpiperidine-1-carboxylate is sourced from PubChem (CID 131125296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).