1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea

C13H26N2O2S — CID 75383653

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea
SMILESCSC1CCCC1NC(=O)NC(CO)CC(C)C
InChIInChI=1S/C13H26N2O2S/c1-9(2)7-10(8-16)14-13(17)15-11-5-4-6-12(11)18-3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyUVCCXJAARZKSGP-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.98
Rot. Bonds6

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea (PubChem CID 75383653) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea
PubChem CID75383653
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea
SMILESCSC1CCCC1NC(=O)NC(CO)CC(C)C
InChIInChI=1S/C13H26N2O2S/c1-9(2)7-10(8-16)14-13(17)15-11-5-4-6-12(11)18-3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyUVCCXJAARZKSGP-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)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-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea (CID 75383653) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea is CSC1CCCC1NC(=O)NC(CO)CC(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea?
The InChIKey is UVCCXJAARZKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-9(2)7-10(8-16)14-13(17)15-11-5-4-6-12(11)18-3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea has a molecular weight of 274.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methylsulfanylcyclopentyl)urea is sourced from PubChem (CID 75383653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).