1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C8H15F3N2O2S — CID 43628954

IUPAC1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-4-2-7(3-5-13)12-6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyBAXYCSBAUDVOJO-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.56
Rot. Bonds3

About 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43628954) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43628954
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-4-2-7(3-5-13)12-6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyBAXYCSBAUDVOJO-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43628954) is 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CS(=O)(=O)N1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is BAXYCSBAUDVOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-16(14,15)13-4-2-7(3-5-13)12-6-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 260.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43628954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).