2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine

C7H14F3N3O2S — CID 84806754

IUPAC2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine
SMILESNCCN1CCCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)6-13-4-1-3-12(5-2-11)16(13,14)15/h1-6,11H2
InChIKeyBCGWMBPRWZGABQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.24
Rot. Bonds3

About 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine

2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine (PubChem CID 84806754) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine
PubChem CID84806754
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine
SMILESNCCN1CCCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)6-13-4-1-3-12(5-2-11)16(13,14)15/h1-6,11H2
InChIKeyBCGWMBPRWZGABQ-UHFFFAOYSA-N
XLogP-0.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
2-(2,2,2-Trifluoroethyl)piperazine-1-sulfonamide
CID 130344791
3-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519451
2-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519460
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
4-(3,3,3-Trifluoropropyl)piperazine-1-sulfonamide
CID 168812873
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 60891761
N-butyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251787
N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251788
N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 62967362
N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 63228038

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine?
The IUPAC name of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine (CID 84806754) is 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine.
What is the SMILES notation for 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine?
The canonical SMILES for 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine is NCCN1CCCN(CC(F)(F)F)S1(=O)=O.
What is the InChIKey of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine?
The InChIKey is BCGWMBPRWZGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)6-13-4-1-3-12(5-2-11)16(13,14)15/h1-6,11H2.
What are the key properties of 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine?
2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine has a molecular weight of 261.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine is sourced from PubChem (CID 84806754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).