1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine

C7H14F2N2O2S — CID 79992750

IUPAC1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H14F2N2O2S/c1-5-2-6(10)4-11(3-5)14(12,13)7(8)9/h5-7H,2-4,10H2,1H3
InChIKeyYNQNYQVOXOHRAM-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.21
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine

1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine (PubChem CID 79992750) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine
PubChem CID79992750
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H14F2N2O2S/c1-5-2-6(10)4-11(3-5)14(12,13)7(8)9/h5-7H,2-4,10H2,1H3
InChIKeyYNQNYQVOXOHRAM-UHFFFAOYSA-N
XLogP0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine (CID 79992750) is 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine is CC1CC(N)CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine?
The InChIKey is YNQNYQVOXOHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-5-2-6(10)4-11(3-5)14(12,13)7(8)9/h5-7H,2-4,10H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine?
1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine has a molecular weight of 228.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 79992750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).