2-piperidin-3-ylethanesulfonyl fluoride

C7H14FNO2S — CID 146049276

IUPAC2-piperidin-3-ylethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CCCNC1
InChIInChI=1S/C7H14FNO2S/c8-12(10,11)5-3-7-2-1-4-9-6-7/h7,9H,1-6H2
InChIKeyRMTAOLSNLHMGNB-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.68
Rot. Bonds3

About 2-piperidin-3-ylethanesulfonyl fluoride

2-piperidin-3-ylethanesulfonyl fluoride (PubChem CID 146049276) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-piperidin-3-ylethanesulfonyl fluoride.

Molecular Properties

Compound Name2-piperidin-3-ylethanesulfonyl fluoride
PubChem CID146049276
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-piperidin-3-ylethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CCCNC1
InChIInChI=1S/C7H14FNO2S/c8-12(10,11)5-3-7-2-1-4-9-6-7/h7,9H,1-6H2
InChIKeyRMTAOLSNLHMGNB-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-piperidin-3-ylethanesulfonamide
CID 115046359
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
2-(azetidin-3-yl)ethanesulfonyl fluoride;2,2,2-trifluoroacetic acid
CID 154578208
3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine
CID 106726931
N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
CID 119979538
[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate
CID 98057079
3-(butylsulfonylmethyl)piperidine
CID 82182109
3-piperidin-3-ylpropane-1-sulfinate
CID 139343735

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylethanesulfonyl fluoride?
The IUPAC name of 2-piperidin-3-ylethanesulfonyl fluoride (CID 146049276) is 2-piperidin-3-ylethanesulfonyl fluoride.
What is the SMILES notation for 2-piperidin-3-ylethanesulfonyl fluoride?
The canonical SMILES for 2-piperidin-3-ylethanesulfonyl fluoride is O=S(=O)(F)CCC1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylethanesulfonyl fluoride?
The InChIKey is RMTAOLSNLHMGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-12(10,11)5-3-7-2-1-4-9-6-7/h7,9H,1-6H2.
What are the key properties of 2-piperidin-3-ylethanesulfonyl fluoride?
2-piperidin-3-ylethanesulfonyl fluoride has a molecular weight of 195.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylethanesulfonyl fluoride is sourced from PubChem (CID 146049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).