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

C7H14F2N2OS — CID 162574647

IUPAC[1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2OS/c8-7(9)13(12)11-3-1-6(5-10)2-4-11/h6-7H,1-5,10H2
InChIKeySBXQYMJMWUZVJJ-UHFFFAOYSA-N
MW212.26 g/mol
LogP0.54
Rot. Bonds3

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

[1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine (PubChem CID 162574647) has the molecular formula C7H14F2N2OS and a molecular weight of 212.26 g/mol. Its IUPAC name is [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine
PubChem CID162574647
Molecular FormulaC7H14F2N2OS
Molecular Weight212.26 g/mol
Exact Mass212.08
IUPAC Name[1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2OS/c8-7(9)13(12)11-3-1-6(5-10)2-4-11/h6-7H,1-5,10H2
InChIKeySBXQYMJMWUZVJJ-UHFFFAOYSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine (CID 162574647) is [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine is NCC1CCN(S(=O)C(F)F)CC1.
What is the InChIKey of [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine?
The InChIKey is SBXQYMJMWUZVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2OS/c8-7(9)13(12)11-3-1-6(5-10)2-4-11/h6-7H,1-5,10H2.
What are the key properties of [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine?
[1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine has a molecular weight of 212.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethylsulfinyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 162574647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).