[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine

C7H14F2N2O2S — CID 43605257

IUPAC[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-3-1-6(5-10)2-4-11/h6-7H,1-5,10H2
InChIKeyFRSHMVUTNLVUPE-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.21
Rot. Bonds3

About [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine

[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 43605257) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
PubChem CID43605257
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-3-1-6(5-10)2-4-11/h6-7H,1-5,10H2
InChIKeyFRSHMVUTNLVUPE-UHFFFAOYSA-N
XLogP0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.21
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-yl]methanamine?
The IUPAC name of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine (CID 43605257) is [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is FRSHMVUTNLVUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-3-1-6(5-10)2-4-11/h6-7H,1-5,10H2.
What are the key properties of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 228.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 43605257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).