(4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine

C7H15FN2O2S — CID 118874537

IUPAC(4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine
SMILESCS(=O)(=O)N1CCC(F)(CN)CC1
InChIInChI=1S/C7H15FN2O2S/c1-13(11,12)10-4-2-7(8,6-9)3-5-10/h2-6,9H2,1H3
InChIKeyMCVYDTZVOSPMJU-UHFFFAOYSA-N
MW210.27 g/mol
LogP-0.29
Rot. Bonds2

About (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine

(4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine (PubChem CID 118874537) has the molecular formula C7H15FN2O2S and a molecular weight of 210.27 g/mol. Its IUPAC name is (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine
PubChem CID118874537
Molecular FormulaC7H15FN2O2S
Molecular Weight210.27 g/mol
Exact Mass210.08
IUPAC Name(4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine
SMILESCS(=O)(=O)N1CCC(F)(CN)CC1
InChIInChI=1S/C7H15FN2O2S/c1-13(11,12)10-4-2-7(8,6-9)3-5-10/h2-6,9H2,1H3
InChIKeyMCVYDTZVOSPMJU-UHFFFAOYSA-N
XLogP-0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine (CID 118874537) is (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine is CS(=O)(=O)N1CCC(F)(CN)CC1.
What is the InChIKey of (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is MCVYDTZVOSPMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O2S/c1-13(11,12)10-4-2-7(8,6-9)3-5-10/h2-6,9H2,1H3.
What are the key properties of (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine?
(4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 210.27 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-methylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 118874537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).