N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine

C8H15F3N2O2S — CID 62560794

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESO=S1(=O)CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7-12-1-2-13-3-5-16(14,15)6-4-13/h12H,1-7H2
InChIKeyLEQBVCYDMRLCHL-UHFFFAOYSA-N
MW260.28 g/mol
LogP-0.13
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62560794) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62560794
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESO=S1(=O)CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7-12-1-2-13-3-5-16(14,15)6-4-13/h12H,1-7H2
InChIKeyLEQBVCYDMRLCHL-UHFFFAOYSA-N
XLogP-0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 5-0.13
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 N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine (CID 62560794) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine is O=S1(=O)CCN(CCNCC(F)(F)F)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is LEQBVCYDMRLCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)7-12-1-2-13-3-5-16(14,15)6-4-13/h12H,1-7H2.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 260.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62560794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).