(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine

C6H12F2N2O2S — CID 28607121

IUPAC(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-1-2-5(9)4-10/h5-6H,1-4,9H2/t5-/m1/s1
InChIKeyVMAOGJRHIJZQPA-RXMQYKEDSA-N
MW214.24 g/mol
LogP-0.04
Rot. Bonds2

About (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine

(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine (PubChem CID 28607121) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine
PubChem CID28607121
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-1-2-5(9)4-10/h5-6H,1-4,9H2/t5-/m1/s1
InChIKeyVMAOGJRHIJZQPA-RXMQYKEDSA-N
XLogP-0.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine (CID 28607121) is (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine is N[C@@H]1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine?
The InChIKey is VMAOGJRHIJZQPA-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-1-2-5(9)4-10/h5-6H,1-4,9H2/t5-/m1/s1.
What are the key properties of (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine?
(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine has a molecular weight of 214.24 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(difluoromethylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 28607121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).