3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

C14H26N2O3S — CID 111841052

IUPAC3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C14H26N2O3S/c1-3-8-16(9-10-17)14(18)15-12-6-5-7-13(11-12)20(19)4-2/h3,12-13,17H,1,4-11H2,2H3,(H,15,18)
InChIKeySVYLORNWBFXBEK-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.26
Rot. Bonds7

About 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111841052) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111841052
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C14H26N2O3S/c1-3-8-16(9-10-17)14(18)15-12-6-5-7-13(11-12)20(19)4-2/h3,12-13,17H,1,4-11H2,2H3,(H,15,18)
InChIKeySVYLORNWBFXBEK-UHFFFAOYSA-N
XLogP1.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
3-(3-ethylsulfanylcyclopentyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509144
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 97019741
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
CID 111424305
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439505
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
CID 111841041
2-ethyl-3-(3-ethylsulfinylcyclohexyl)-1,1-dimethylguanidine;hydroiodide
CID 109437174
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
2-[[(cyclopentylamino)-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042908

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111841052) is 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC1CCCC(S(=O)CC)C1.
What is the InChIKey of 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is SVYLORNWBFXBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-3-8-16(9-10-17)14(18)15-12-6-5-7-13(11-12)20(19)4-2/h3,12-13,17H,1,4-11H2,2H3,(H,15,18).
What are the key properties of 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 302.44 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111841052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).