1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C12H22N2O2S — CID 84587193

IUPAC1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCSCC(C)CNC(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H22N2O2S/c1-8(7-17-2)6-13-12(15)14-10-5-9-3-4-11(10)16-9/h8-11H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyUEMJXRWLIKNIGQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.60
Rot. Bonds5

About 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 84587193) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID84587193
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCSCC(C)CNC(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H22N2O2S/c1-8(7-17-2)6-13-12(15)14-10-5-9-3-4-11(10)16-9/h8-11H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyUEMJXRWLIKNIGQ-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 81071061
5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid
CID 80715313
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919296
(2S)-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80719419
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80720622
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129421908
6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
CID 80714519

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 84587193) is 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is CSCC(C)CNC(=O)NC1CC2CCC1O2.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is UEMJXRWLIKNIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-8(7-17-2)6-13-12(15)14-10-5-9-3-4-11(10)16-9/h8-11H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 258.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 84587193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).