1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea

C12H24N2O2S — CID 95984228

IUPAC1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea
SMILESCSC[C@](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)/t12-/m1/s1
InChIKeyVDJIPMBVGAVMFW-GFCCVEGCSA-N
MW260.40 g/mol
LogP1.73
Rot. Bonds5

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

1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea (PubChem CID 95984228) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea
PubChem CID95984228
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea
SMILESCSC[C@](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)/t12-/m1/s1
InChIKeyVDJIPMBVGAVMFW-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea (CID 95984228) is 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea is CSC[C@](C)(O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea?
The InChIKey is VDJIPMBVGAVMFW-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea?
1-cyclohexyl-3-[(2R)-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-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]urea is sourced from PubChem (CID 95984228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).