N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H19F3N2O2S — CID 64852772

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESO=S1(=O)CCC(N(CC(F)(F)F)C2CCNCC2)C1
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)8-16(9-1-4-15-5-2-9)10-3-6-19(17,18)7-10/h9-10,15H,1-8H2
InChIKeyIRAJDYYJPKXKIQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.79
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 64852772) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID64852772
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESO=S1(=O)CCC(N(CC(F)(F)F)C2CCNCC2)C1
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)8-16(9-1-4-15-5-2-9)10-3-6-19(17,18)7-10/h9-10,15H,1-8H2
InChIKeyIRAJDYYJPKXKIQ-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 64852772) is N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is O=S1(=O)CCC(N(CC(F)(F)F)C2CCNCC2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is IRAJDYYJPKXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c12-11(13,14)8-16(9-1-4-15-5-2-9)10-3-6-19(17,18)7-10/h9-10,15H,1-8H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 300.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 64852772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).