N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H21F3N2O3S — CID 49066460

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O3S/c14-13(15,16)11-5-2-1-4-10(11)12(19)17-6-8-18-7-3-9-22(18,20)21/h10-11H,1-9H2,(H,17,19)
InChIKeyOMXLXOVRYKHDEP-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 49066460) has the molecular formula C13H21F3N2O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID49066460
Molecular FormulaC13H21F3N2O3S
Molecular Weight342.38 g/mol
Exact Mass342.12
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O3S/c14-13(15,16)11-5-2-1-4-10(11)12(19)17-6-8-18-7-3-9-22(18,20)21/h10-11H,1-9H2,(H,17,19)
InChIKeyOMXLXOVRYKHDEP-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 49066460) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCCN1CCCS1(=O)=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is OMXLXOVRYKHDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3S/c14-13(15,16)11-5-2-1-4-10(11)12(19)17-6-8-18-7-3-9-22(18,20)21/h10-11H,1-9H2,(H,17,19).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 49066460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).