N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine

C8H17FN2O2S — CID 80694689

IUPACN-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCF)CC1
InChIInChI=1S/C8H17FN2O2S/c1-14(12,13)11-6-2-8(3-7-11)10-5-4-9/h8,10H,2-7H2,1H3
InChIKeyILPRRENHLNOUEY-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.03
Rot. Bonds4

About N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine

N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 80694689) has the molecular formula C8H17FN2O2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID80694689
Molecular FormulaC8H17FN2O2S
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC NameN-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCF)CC1
InChIInChI=1S/C8H17FN2O2S/c1-14(12,13)11-6-2-8(3-7-11)10-5-4-9/h8,10H,2-7H2,1H3
InChIKeyILPRRENHLNOUEY-UHFFFAOYSA-N
XLogP-0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine (CID 80694689) is N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCCF)CC1.
What is the InChIKey of N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ILPRRENHLNOUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2S/c1-14(12,13)11-6-2-8(3-7-11)10-5-4-9/h8,10H,2-7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine?
N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 224.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 80694689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).