1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine

C10H20F2N2O2S — CID 55258196

IUPAC1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C10H20F2N2O2S/c1-3-13-8(2)9-5-4-6-14(7-9)17(15,16)10(11)12/h8-10,13H,3-7H2,1-2H3
InChIKeyJBYJYKDXXPPCDY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.25
Rot. Bonds5

About 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine

1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine (PubChem CID 55258196) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine
PubChem CID55258196
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C10H20F2N2O2S/c1-3-13-8(2)9-5-4-6-14(7-9)17(15,16)10(11)12/h8-10,13H,3-7H2,1-2H3
InChIKeyJBYJYKDXXPPCDY-UHFFFAOYSA-N
XLogP1.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.25
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-3-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine (CID 55258196) is 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine is CCNC(C)C1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine?
The InChIKey is JBYJYKDXXPPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c1-3-13-8(2)9-5-4-6-14(7-9)17(15,16)10(11)12/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine?
1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine has a molecular weight of 270.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 55258196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).