1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine

C8H17FN2O2S — CID 121360908

IUPAC1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine
SMILESCNCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C8H17FN2O2S/c1-10-5-7-3-4-11(6-8(7)9)14(2,12)13/h7-8,10H,3-6H2,1-2H3
InChIKeyAVJNADQWAVKWJJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.17
Rot. Bonds3

About 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine

1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine (PubChem CID 121360908) has the molecular formula C8H17FN2O2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine
PubChem CID121360908
Molecular FormulaC8H17FN2O2S
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC Name1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine
SMILESCNCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C8H17FN2O2S/c1-10-5-7-3-4-11(6-8(7)9)14(2,12)13/h7-8,10H,3-6H2,1-2H3
InChIKeyAVJNADQWAVKWJJ-UHFFFAOYSA-N
XLogP-0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine (CID 121360908) is 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine is CNCC1CCN(S(C)(=O)=O)CC1F.
What is the InChIKey of 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine?
The InChIKey is AVJNADQWAVKWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2S/c1-10-5-7-3-4-11(6-8(7)9)14(2,12)13/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine?
1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine has a molecular weight of 224.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-methylsulfonylpiperidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 121360908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).