1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine

C10H17F3N2O2S — CID 62692740

IUPAC1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-2-1-3-15(4-7)9-6-18(16,17)5-8(9)14/h7-9H,1-6,14H2
InChIKeyGDVFJMLXQMGKBG-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.38
Rot. Bonds1

About 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine

1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine (PubChem CID 62692740) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
PubChem CID62692740
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-2-1-3-15(4-7)9-6-18(16,17)5-8(9)14/h7-9H,1-6,14H2
InChIKeyGDVFJMLXQMGKBG-UHFFFAOYSA-N
XLogP0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine (CID 62692740) is 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine is NC1CS(=O)(=O)CC1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine?
The InChIKey is GDVFJMLXQMGKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)7-2-1-3-15(4-7)9-6-18(16,17)5-8(9)14/h7-9H,1-6,14H2.
What are the key properties of 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine?
1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine has a molecular weight of 286.32 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine is sourced from PubChem (CID 62692740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).