1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea

C15H28N2O2S — CID 75377549

IUPAC1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)NC1CCCCC1S(=O)CC
InChIInChI=1S/C15H28N2O2S/c1-5-17(11-12(3)4)15(18)16-13-9-7-8-10-14(13)20(19)6-2/h13-14H,3,5-11H2,1-2,4H3,(H,16,18)
InChIKeyYBRGPNZVTQPNHA-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.67
Rot. Bonds6

About 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea

1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea (PubChem CID 75377549) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea
PubChem CID75377549
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)NC1CCCCC1S(=O)CC
InChIInChI=1S/C15H28N2O2S/c1-5-17(11-12(3)4)15(18)16-13-9-7-8-10-14(13)20(19)6-2/h13-14H,3,5-11H2,1-2,4H3,(H,16,18)
InChIKeyYBRGPNZVTQPNHA-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea (CID 75377549) is 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea is C=C(C)CN(CC)C(=O)NC1CCCCC1S(=O)CC.
What is the InChIKey of 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea?
The InChIKey is YBRGPNZVTQPNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-5-17(11-12(3)4)15(18)16-13-9-7-8-10-14(13)20(19)6-2/h13-14H,3,5-11H2,1-2,4H3,(H,16,18).
What are the key properties of 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea?
1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea has a molecular weight of 300.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 75377549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).