2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

C9H19FN2O2S — CID 112562586

IUPAC2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(F)CN)C1
InChIInChI=1S/C9H19FN2O2S/c1-15(13,14)12-4-2-3-8(7-12)5-9(10)6-11/h8-9H,2-7,11H2,1H3
InChIKeySCHOEZLCCDTYMW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.34
Rot. Bonds4

About 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (PubChem CID 112562586) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
PubChem CID112562586
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC Name2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(F)CN)C1
InChIInChI=1S/C9H19FN2O2S/c1-15(13,14)12-4-2-3-8(7-12)5-9(10)6-11/h8-9H,2-7,11H2,1H3
InChIKeySCHOEZLCCDTYMW-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (CID 112562586) is 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is CS(=O)(=O)N1CCCC(CC(F)CN)C1.
What is the InChIKey of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The InChIKey is SCHOEZLCCDTYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-15(13,14)12-4-2-3-8(7-12)5-9(10)6-11/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is sourced from PubChem (CID 112562586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).