1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

C14H28N2O2S — CID 111840883

IUPAC1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCCSC1CCCCC1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C14H28N2O2S/c1-4-19-13-8-6-5-7-12(13)16-14(18)15-11(3)10(2)9-17/h10-13,17H,4-9H2,1-3H3,(H2,15,16,18)
InChIKeyNCFJKFRDGXAOBR-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.37
Rot. Bonds6

About 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111840883) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111840883
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCCSC1CCCCC1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C14H28N2O2S/c1-4-19-13-8-6-5-7-12(13)16-14(18)15-11(3)10(2)9-17/h10-13,17H,4-9H2,1-3H3,(H2,15,16,18)
InChIKeyNCFJKFRDGXAOBR-UHFFFAOYSA-N
XLogP2.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea 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-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
CID 111455212
1-(2-ethylsulfanylcyclohexyl)-3-(3-hydroxybutyl)urea
CID 111841186
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 98775732
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
CID 103581059
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
4-[(2-ethylsulfanylcyclohexyl)carbamoylamino]butanoic acid
CID 122005456
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
2-ethylsulfanyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 115727024

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 111840883) is 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is CCSC1CCCCC1NC(=O)NC(C)C(C)CO.
What is the InChIKey of 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is NCFJKFRDGXAOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-4-19-13-8-6-5-7-12(13)16-14(18)15-11(3)10(2)9-17/h10-13,17H,4-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 288.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111840883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).