1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea

C10H17F3N2OS — CID 114115875

IUPAC1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCSC1(CNC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C10H17F3N2OS/c1-17-9(4-2-3-5-9)6-14-8(16)15-7-10(11,12)13/h2-7H2,1H3,(H2,14,15,16)
InChIKeyOQJQAIWCXSVJKM-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.52
Rot. Bonds4

About 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 114115875) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID114115875
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCSC1(CNC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C10H17F3N2OS/c1-17-9(4-2-3-5-9)6-14-8(16)15-7-10(11,12)13/h2-7H2,1H3,(H2,14,15,16)
InChIKeyOQJQAIWCXSVJKM-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

Analyze 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 114115875) is 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is CSC1(CNC(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is OQJQAIWCXSVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-17-9(4-2-3-5-9)6-14-8(16)15-7-10(11,12)13/h2-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1-methylsulfanylcyclopentyl)methyl]-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-[(1-methylsulfanylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 114115875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).