2-(1-fluorosulfonylpiperidin-4-yl)acetic acid

C7H12FNO4S — CID 139026729

IUPAC2-(1-fluorosulfonylpiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C7H12FNO4S/c8-14(12,13)9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeySENPUECDMXOOFF-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.39
Rot. Bonds3

About 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid

2-(1-fluorosulfonylpiperidin-4-yl)acetic acid (PubChem CID 139026729) has the molecular formula C7H12FNO4S and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-fluorosulfonylpiperidin-4-yl)acetic acid
PubChem CID139026729
Molecular FormulaC7H12FNO4S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name2-(1-fluorosulfonylpiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C7H12FNO4S/c8-14(12,13)9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeySENPUECDMXOOFF-UHFFFAOYSA-N
XLogP0.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-Sulfamoylpiperidine-3-carboxylic acid
CID 24694898
1-(Fluorosulfonyl)piperidine-3-carboxylic acid
CID 165726908
(1-Methanesulfonyl-piperidin-4-yl)-acetic acid
CID 28280442
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608369
2-[1-(Difluoromethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608661
2-[1-(2,2,2-Trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid
CID 114806634
2-Fluoro-2-(1-methylsulfonylpiperidin-4-yl)acetic acid
CID 130490645
3-Carboxypiperidine-1-sulfinate
CID 89575433
1-(Chlorosulfonyl)piperidine-3-carboxylic acid
CID 90420275
2-(1-Iodopiperidin-4-yl)acetic acid
CID 122597455
(3R)-1-sulfamoylpiperidine-3-carboxylic acid
CID 28181793

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid (CID 139026729) is 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid is O=C(O)CC1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid?
The InChIKey is SENPUECDMXOOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO4S/c8-14(12,13)9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid?
2-(1-fluorosulfonylpiperidin-4-yl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorosulfonylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 139026729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).