1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea

C14H24F3N3O3S — CID 47765189

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3N3O3S/c1-24(22,23)20-8-2-3-12(9-20)19-13(21)18-11-6-4-10(5-7-11)14(15,16)17/h10-12H,2-9H2,1H3,(H2,18,19,21)
InChIKeyPFLQGTQQOGYWKW-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.83
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea

1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 47765189) has the molecular formula C14H24F3N3O3S and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID47765189
Molecular FormulaC14H24F3N3O3S
Molecular Weight371.43 g/mol
Exact Mass371.15
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3N3O3S/c1-24(22,23)20-8-2-3-12(9-20)19-13(21)18-11-6-4-10(5-7-11)14(15,16)17/h10-12H,2-9H2,1H3,(H2,18,19,21)
InChIKeyPFLQGTQQOGYWKW-UHFFFAOYSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]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-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 47765189) is 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea is CS(=O)(=O)N1CCCC(NC(=O)NC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is PFLQGTQQOGYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3S/c1-24(22,23)20-8-2-3-12(9-20)19-13(21)18-11-6-4-10(5-7-11)14(15,16)17/h10-12H,2-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 371.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 47765189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).