1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

C10H19F3N2O3S — CID 61490880

IUPAC1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O3S/c1-19(16,17)15-5-2-9(3-6-15)14-4-7-18-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyDXZVDVGGDXNDGF-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.58
Rot. Bonds6

About 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (PubChem CID 61490880) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
PubChem CID61490880
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O3S/c1-19(16,17)15-5-2-9(3-6-15)14-4-7-18-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyDXZVDVGGDXNDGF-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (CID 61490880) is 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is CS(=O)(=O)N1CCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The InChIKey is DXZVDVGGDXNDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-19(16,17)15-5-2-9(3-6-15)14-4-7-18-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine has a molecular weight of 304.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 61490880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).