1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one

C10H18N2O3S — CID 116624729

IUPAC1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCS(=O)(=O)CC)c1=O
InChIInChI=1S/C10H18N2O3S/c1-3-5-11-6-7-12(10(11)13)8-9-16(14,15)4-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyCVFDVSGOFSEPFC-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.49
Rot. Bonds6

About 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one

1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one (PubChem CID 116624729) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one
PubChem CID116624729
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCS(=O)(=O)CC)c1=O
InChIInChI=1S/C10H18N2O3S/c1-3-5-11-6-7-12(10(11)13)8-9-16(14,15)4-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyCVFDVSGOFSEPFC-UHFFFAOYSA-N
XLogP0.49
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one (CID 116624729) is 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one is CCCn1ccn(CCS(=O)(=O)CC)c1=O.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one?
The InChIKey is CVFDVSGOFSEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-5-11-6-7-12(10(11)13)8-9-16(14,15)4-2/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one?
1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one has a molecular weight of 246.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one is sourced from PubChem (CID 116624729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).