3,3-difluoro-1-methylsulfonylpiperidin-4-amine

C6H12F2N2O2S — CID 178001071

IUPAC3,3-difluoro-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(N)C(F)(F)C1
InChIInChI=1S/C6H12F2N2O2S/c1-13(11,12)10-3-2-5(9)6(7,8)4-10/h5H,2-4,9H2,1H3
InChIKeyQZCFKTRWDCGOAO-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.39
Rot. Bonds1

About 3,3-difluoro-1-methylsulfonylpiperidin-4-amine

3,3-difluoro-1-methylsulfonylpiperidin-4-amine (PubChem CID 178001071) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 3,3-difluoro-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-1-methylsulfonylpiperidin-4-amine
PubChem CID178001071
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name3,3-difluoro-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(N)C(F)(F)C1
InChIInChI=1S/C6H12F2N2O2S/c1-13(11,12)10-3-2-5(9)6(7,8)4-10/h5H,2-4,9H2,1H3
InChIKeyQZCFKTRWDCGOAO-UHFFFAOYSA-N
XLogP-0.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of 3,3-difluoro-1-methylsulfonylpiperidin-4-amine (CID 178001071) is 3,3-difluoro-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for 3,3-difluoro-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(N)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylsulfonylpiperidin-4-amine?
The InChIKey is QZCFKTRWDCGOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-13(11,12)10-3-2-5(9)6(7,8)4-10/h5H,2-4,9H2,1H3.
What are the key properties of 3,3-difluoro-1-methylsulfonylpiperidin-4-amine?
3,3-difluoro-1-methylsulfonylpiperidin-4-amine has a molecular weight of 214.24 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 178001071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).