1-(difluoromethylsulfonyl)piperidin-4-amine

C6H12F2N2O2S — CID 28606479

IUPAC1-(difluoromethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-1-5(9)2-4-10/h5-6H,1-4,9H2
InChIKeyPTYPHFUIYBKXIG-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.04
Rot. Bonds2

About 1-(difluoromethylsulfonyl)piperidin-4-amine

1-(difluoromethylsulfonyl)piperidin-4-amine (PubChem CID 28606479) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)piperidin-4-amine
PubChem CID28606479
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name1-(difluoromethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-1-5(9)2-4-10/h5-6H,1-4,9H2
InChIKeyPTYPHFUIYBKXIG-UHFFFAOYSA-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 1-(difluoromethylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(difluoromethylsulfonyl)piperidin-4-amine (CID 28606479) is 1-(difluoromethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(difluoromethylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)piperidin-4-amine?
The InChIKey is PTYPHFUIYBKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-6(8)13(11,12)10-3-1-5(9)2-4-10/h5-6H,1-4,9H2.
What are the key properties of 1-(difluoromethylsulfonyl)piperidin-4-amine?
1-(difluoromethylsulfonyl)piperidin-4-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 1-(difluoromethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 28606479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).