1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

C12H24N2O2S — CID 71787244

IUPAC1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-12(16,9-17-2)8-13-11(15)14-10-6-4-3-5-7-10/h10,16H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyVDJIPMBVGAVMFW-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.73
Rot. Bonds5

About 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (PubChem CID 71787244) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
PubChem CID71787244
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-12(16,9-17-2)8-13-11(15)14-10-6-4-3-5-7-10/h10,16H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyVDJIPMBVGAVMFW-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523164
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
1-(2,3-dimethylcyclohexyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437886
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
CID 106141204
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
CID 60970162
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 103899088
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (CID 71787244) is 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is CSCC(C)(O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The InChIKey is VDJIPMBVGAVMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(16,9-17-2)8-13-11(15)14-10-6-4-3-5-7-10/h10,16H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea has a molecular weight of 260.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is sourced from PubChem (CID 71787244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).