1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea

C19H36N2O3S — CID 166233203

IUPAC1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea
SMILESCC1CC(CCNC(=O)NC2CCCC(S(C)(=O)=O)C2)CC(C)(C)C1
InChIInChI=1S/C19H36N2O3S/c1-14-10-15(13-19(2,3)12-14)8-9-20-18(22)21-16-6-5-7-17(11-16)25(4,23)24/h14-17H,5-13H2,1-4H3,(H2,20,21,22)
InChIKeyBOMXHGIGNUKJFS-UHFFFAOYSA-N
MW372.58 g/mol
LogP3.49
Rot. Bonds5

About 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea

1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea (PubChem CID 166233203) has the molecular formula C19H36N2O3S and a molecular weight of 372.58 g/mol. Its IUPAC name is 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea
PubChem CID166233203
Molecular FormulaC19H36N2O3S
Molecular Weight372.58 g/mol
Exact Mass372.24
IUPAC Name1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea
SMILESCC1CC(CCNC(=O)NC2CCCC(S(C)(=O)=O)C2)CC(C)(C)C1
InChIInChI=1S/C19H36N2O3S/c1-14-10-15(13-19(2,3)12-14)8-9-20-18(22)21-16-6-5-7-17(11-16)25(4,23)24/h14-17H,5-13H2,1-4H3,(H2,20,21,22)
InChIKeyBOMXHGIGNUKJFS-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylcyclobutyl)methyl]-3-[(1S,3S)-3-methylsulfonylcyclohexyl]urea
CID 97005967
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406909
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5R)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406912
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
1-[4-(hydroxymethyl)cyclohexyl]-3-[2-(3-methylcyclopentyl)ethyl]urea
CID 167834563
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 131076439
1-[(1S,2R)-2-ethylcyclohexyl]-3-[(1R,3R)-3-methylsulfonylcyclohexyl]urea
CID 100852482
2-[methyl-[1-[2-(3,3,5-trimethylcyclohexyl)ethylcarbamoyl]azepan-4-yl]amino]acetic acid
CID 122011939
N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine
CID 104531364
N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 119538141
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea?
The IUPAC name of 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea (CID 166233203) is 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea.
What is the SMILES notation for 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea?
The canonical SMILES for 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea is CC1CC(CCNC(=O)NC2CCCC(S(C)(=O)=O)C2)CC(C)(C)C1.
What is the InChIKey of 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea?
The InChIKey is BOMXHGIGNUKJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3S/c1-14-10-15(13-19(2,3)12-14)8-9-20-18(22)21-16-6-5-7-17(11-16)25(4,23)24/h14-17H,5-13H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea?
1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea has a molecular weight of 372.58 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea is sourced from PubChem (CID 166233203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).