3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine

C12H17FN2O4S — CID 154881437

IUPAC3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine
SMILESCC(C)N(C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)C
InChIInChI=1S/C12H17FN2O4S/c1-8(2)15(9(3)4)12(16)10-5-11(7-14-6-10)19-20(13,17)18/h5-9H,1-4H3
InChIKeyQXELNOCLHHBACM-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.93
Rot. Bonds5

About 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine

3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine (PubChem CID 154881437) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine.

Molecular Properties

Compound Name3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine
PubChem CID154881437
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine
SMILESCC(C)N(C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)C
InChIInChI=1S/C12H17FN2O4S/c1-8(2)15(9(3)4)12(16)10-5-11(7-14-6-10)19-20(13,17)18/h5-9H,1-4H3
InChIKeyQXELNOCLHHBACM-UHFFFAOYSA-N
XLogP1.93
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine?
The IUPAC name of 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine (CID 154881437) is 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine.
What is the SMILES notation for 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine?
The canonical SMILES for 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine is CC(C)N(C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine?
The InChIKey is QXELNOCLHHBACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8(2)15(9(3)4)12(16)10-5-11(7-14-6-10)19-20(13,17)18/h5-9H,1-4H3.
What are the key properties of 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine?
3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine has a molecular weight of 304.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine is sourced from PubChem (CID 154881437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).