1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea

C13H26N2O2S — CID 75379203

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea
SMILESCSC1CCCCC1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H26N2O2S/c1-13(2,17)9-15(3)12(16)14-10-7-5-6-8-11(10)18-4/h10-11,17H,5-9H2,1-4H3,(H,14,16)
InChIKeySIUMZVMSMDADGH-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.07
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea (PubChem CID 75379203) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea
PubChem CID75379203
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea
SMILESCSC1CCCCC1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H26N2O2S/c1-13(2,17)9-15(3)12(16)14-10-7-5-6-8-11(10)18-4/h10-11,17H,5-9H2,1-4H3,(H,14,16)
InChIKeySIUMZVMSMDADGH-UHFFFAOYSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[[(1S,2S)-2-methylsulfanylcyclohexyl]carbamoyl]amino]propanoic acid
CID 122015188
1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea
CID 96565833
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 103843972
1-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[(1S,2R)-2-methylsulfanylcyclohexyl]urea
CID 99848646
(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381
3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
CID 103812043
3-[(2-ethylsulfanylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005466
6-amino-4,4-dimethyl-N-(2-methylsulfanylcyclopentyl)hexanamide
CID 114121464
2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
CID 103783162
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea (CID 75379203) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea is CSC1CCCCC1NC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea?
The InChIKey is SIUMZVMSMDADGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2,17)9-15(3)12(16)14-10-7-5-6-8-11(10)18-4/h10-11,17H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea has a molecular weight of 274.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methylsulfanylcyclohexyl)urea is sourced from PubChem (CID 75379203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).