2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride

C9H18FNO2S — CID 115034077

IUPAC2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C1CCN(C)CC1
InChIInChI=1S/C9H18FNO2S/c1-8(7-14(10,12)13)9-3-5-11(2)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyAURMALKBYIQQFD-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.26
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride

2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride (PubChem CID 115034077) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride
PubChem CID115034077
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C1CCN(C)CC1
InChIInChI=1S/C9H18FNO2S/c1-8(7-14(10,12)13)9-3-5-11(2)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyAURMALKBYIQQFD-UHFFFAOYSA-N
XLogP1.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride?
The IUPAC name of 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride (CID 115034077) is 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride is CC(CS(=O)(=O)F)C1CCN(C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride?
The InChIKey is AURMALKBYIQQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(7-14(10,12)13)9-3-5-11(2)6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride?
2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride has a molecular weight of 223.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 115034077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).