1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine

C8H16F2N2O2S — CID 63249961

IUPAC1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-11-6-7-4-2-3-5-12(7)15(13,14)8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyGUKPDFWQXXBBSH-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.61
Rot. Bonds4

About 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 63249961) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID63249961
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-11-6-7-4-2-3-5-12(7)15(13,14)8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyGUKPDFWQXXBBSH-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine (CID 63249961) is 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is GUKPDFWQXXBBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-11-6-7-4-2-3-5-12(7)15(13,14)8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 242.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63249961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).