1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea

C10H17F3N2OS — CID 113245449

IUPAC1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCSC1CCC(NC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2OS/c1-2-17-8-4-3-7(5-8)15-9(16)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H2,14,15,16)
InChIKeyGMIPTLREBSLNAB-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.52
Rot. Bonds4

About 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea

1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113245449) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113245449
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCSC1CCC(NC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2OS/c1-2-17-8-4-3-7(5-8)15-9(16)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H2,14,15,16)
InChIKeyGMIPTLREBSLNAB-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea (CID 113245449) is 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea is CCSC1CCC(NC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GMIPTLREBSLNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-2-17-8-4-3-7(5-8)15-9(16)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 270.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113245449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).