N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine

C6H10F3NO2S — CID 66206574

IUPACN-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
SMILESCNC1(C(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C6H10F3NO2S/c1-10-5(6(7,8)9)2-3-13(11,12)4-5/h10H,2-4H2,1H3
InChIKeyRDKZPDAFMKCNSF-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.33
Rot. Bonds1

About N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine

N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine (PubChem CID 66206574) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
PubChem CID66206574
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
SMILESCNC1(C(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C6H10F3NO2S/c1-10-5(6(7,8)9)2-3-13(11,12)4-5/h10H,2-4H2,1H3
InChIKeyRDKZPDAFMKCNSF-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The IUPAC name of N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine (CID 66206574) is N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The canonical SMILES for N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine is CNC1(C(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The InChIKey is RDKZPDAFMKCNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-10-5(6(7,8)9)2-3-13(11,12)4-5/h10H,2-4H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine has a molecular weight of 217.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine is sourced from PubChem (CID 66206574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).