1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea

C17H26N2O3S — CID 111841049

IUPAC1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCS(=O)C1CCCC(NC(=O)NC(CO)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-23(22)15-10-6-9-14(11-15)18-17(21)19-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,2,6,9-12H2,1H3,(H2,18,19,21)
InChIKeyFKRDQROCZJOXGN-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.10
Rot. Bonds6

About 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea

1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 111841049) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID111841049
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCS(=O)C1CCCC(NC(=O)NC(CO)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-23(22)15-10-6-9-14(11-15)18-17(21)19-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,2,6,9-12H2,1H3,(H2,18,19,21)
InChIKeyFKRDQROCZJOXGN-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
CID 119343736
1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
CID 71977015
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840874
1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 110007137
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
1-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058744
1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-(2-phenylbutyl)guanidine;hydroiodide
CID 109437020
1-[2-(diethylamino)-2-phenylethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109436953
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
CID 111841041

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea (CID 111841049) is 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea is CCS(=O)C1CCCC(NC(=O)NC(CO)c2ccccc2)C1.
What is the InChIKey of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is FKRDQROCZJOXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-23(22)15-10-6-9-14(11-15)18-17(21)19-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,2,6,9-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea?
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 338.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 111841049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).