1-(3-ethylsulfinylcyclohexyl)-3-phenylurea

C15H22N2O2S — CID 71977015

IUPAC1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
SMILESCCS(=O)C1CCCC(NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-20(19)14-10-6-9-13(11-14)17-15(18)16-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H2,16,17,18)
InChIKeyIROFPMVVCYUHCJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.89
Rot. Bonds4

About 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea

1-(3-ethylsulfinylcyclohexyl)-3-phenylurea (PubChem CID 71977015) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
PubChem CID71977015
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
SMILESCCS(=O)C1CCCC(NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H22N2O2S/c1-2-20(19)14-10-6-9-13(11-14)17-15(18)16-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H2,16,17,18)
InChIKeyIROFPMVVCYUHCJ-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea 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

1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
CID 119343736
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840874
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058744
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
CID 111841041
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 109437595
1-[(1-benzylcyclopropyl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109440539
1-[(2-ethylphenyl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437467
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea?
The IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea (CID 71977015) is 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea.
What is the SMILES notation for 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea?
The canonical SMILES for 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea is CCS(=O)C1CCCC(NC(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea?
The InChIKey is IROFPMVVCYUHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-20(19)14-10-6-9-13(11-14)17-15(18)16-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea?
1-(3-ethylsulfinylcyclohexyl)-3-phenylurea has a molecular weight of 294.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfinylcyclohexyl)-3-phenylurea is sourced from PubChem (CID 71977015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).