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

C7H14F2N2O2S — CID 62534847

IUPAC1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H14F2N2O2S/c1-10-6-3-2-4-11(5-6)14(12,13)7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyYAYSLRODFTTZFN-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.22
Rot. Bonds3

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

1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine (PubChem CID 62534847) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine
PubChem CID62534847
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H14F2N2O2S/c1-10-6-3-2-4-11(5-6)14(12,13)7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyYAYSLRODFTTZFN-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine (CID 62534847) is 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine?
The InChIKey is YAYSLRODFTTZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-10-6-3-2-4-11(5-6)14(12,13)7(8)9/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine?
1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine has a molecular weight of 228.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 62534847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).