1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride

C8H16FNO3S — CID 166746756

IUPAC1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride
SMILESCOCCN1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C8H16FNO3S/c1-13-7-6-10-4-2-8(3-5-10)14(9,11)12/h8H,2-7H2,1H3
InChIKeyDWOKDGOTEHZCBR-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.40
Rot. Bonds4

About 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride

1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride (PubChem CID 166746756) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride
PubChem CID166746756
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride
SMILESCOCCN1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C8H16FNO3S/c1-13-7-6-10-4-2-8(3-5-10)14(9,11)12/h8H,2-7H2,1H3
InChIKeyDWOKDGOTEHZCBR-UHFFFAOYSA-N
XLogP0.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride?
The IUPAC name of 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride (CID 166746756) is 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride.
What is the SMILES notation for 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride?
The canonical SMILES for 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride is COCCN1CCC(S(=O)(=O)F)CC1.
What is the InChIKey of 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride?
The InChIKey is DWOKDGOTEHZCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO3S/c1-13-7-6-10-4-2-8(3-5-10)14(9,11)12/h8H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride?
1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride has a molecular weight of 225.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)piperidine-4-sulfonyl fluoride is sourced from PubChem (CID 166746756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).